N,N-diethylethanamine;2-fluorobenzenesulfonyl chloride;N-[[1-[1-(2-fluorophenyl)sulfonyl-4-hydroxyindol-2-yl]sulfonylpiperidin-4-yl]methyl]methanesulfonamide;1-(2-fluorophenyl)sulfonyl-4-methoxyindole;1-(2-fluorophenyl)sulfonyl-4-methoxyindole-2-sulfonyl chloride;N-[[1-[1-(2-fluorophenyl)sulfonyl-4-methoxyindol-2-yl]sulfonylpiperidin-4-yl]methyl]methanesulfonamide;4-methoxy-1H-indole;N-(piperidin-4-ylmethyl)methanesulfonamide;2,2,2-trifluoroacetaldehyde

C103H118Cl2F8N12O28S11 — CID 159129143

IUPACN,N-diethylethanamine;2-fluorobenzenesulfonyl chloride;N-[[1-[1-(2-fluorophenyl)sulfonyl-4-hydroxyindol-2-yl]sulfonylpiperidin-4-yl]methyl]methanesulfonamide;1-(2-fluorophenyl)sulfonyl-4-methoxyindole;1-(2-fluorophenyl)sulfonyl-4-methoxyindole-2-sulfonyl chloride;N-[[1-[1-(2-fluorophenyl)sulfonyl-4-methoxyindol-2-yl]sulfonylpiperidin-4-yl]methyl]methanesulfonamide;4-methoxy-1H-indole;N-(piperidin-4-ylmethyl)methanesulfonamide;2,2,2-trifluoroacetaldehyde
SMILESCCN(CC)CC.COc1cccc2[nH]ccc12.COc1cccc2c1cc(S(=O)(=O)Cl)n2S(=O)(=O)c1ccccc1F.COc1cccc2c1cc(S(=O)(=O)N1CCC(CNS(C)(=O)=O)CC1)n2S(=O)(=O)c1ccccc1F.COc1cccc2c1ccn2S(=O)(=O)c1ccccc1F.CS(=O)(=O)NCC1CCN(S(=O)(=O)c2cc3c(O)cccc3n2S(=O)(=O)c2ccccc2F)CC1.CS(=O)(=O)NCC1CCNCC1.O=CC(F)(F)F.O=S(=O)(Cl)c1ccccc1F
InChIInChI=1S/C22H26FN3O7S3.C21H24FN3O7S3.C15H11ClFNO5S2.C15H12FNO3S.C9H9NO.C7H16N2O2S.C6H4ClFO2S.C6H15N.C2HF3O/c1-33-20-8-5-7-19-17(20)14-22(26(19)35(29,30)21-9-4-3-6-18(21)23)36(31,32)25-12-10-16(11-13-25)15-24-34(2,27)28;1-33(27,28)23-14-15-9-11-24(12-10-15)35(31,32)21-13-16-18(6-4-7-19(16)26)25(21)34(29,30)20-8-3-2-5-17(20)22;1-23-13-7-4-6-12-10(13)9-15(24(16,19)20)18(12)25(21,22)14-8-3-2-5-11(14)17;1-20-14-7-4-6-13-11(14)9-10-17(13)21(18,19)15-8-3-2-5-12(15)16;1-11-9-4-2-3-8-7(9)5-6-10-8;1-12(10,11)9-6-7-2-4-8-5-3-7;7-11(9,10)6-4-2-1-3-5(6)8;1-4-7(5-2)6-3;3-2(4,5)1-6/h3-9,14,16,24H,10-13,15H2,1-2H3;2-8,13,15,23,26H,9-12,14H2,1H3;2-9H,1H3;2-10H,1H3;2-6,10H,1H3;7-9H,2-6H2,1H3;1-4H;4-6H2,1-3H3;1H
InChIKeyKGQSVDCDLPXYSU-UHFFFAOYSA-N
MW2547.76 g/mol
LogP15.19
Rot. Bonds30

About N,N-diethylethanamine;2-fluorobenzenesulfonyl chloride;N-[[1-[1-(2-fluorophenyl)sulfonyl-4-hydroxyindol-2-yl]sulfonylpiperidin-4-yl]methyl]methanesulfonamide;1-(2-fluorophenyl)sulfonyl-4-methoxyindole;1-(2-fluorophenyl)sulfonyl-4-methoxyindole-2-sulfonyl chloride;N-[[1-[1-(2-fluorophenyl)sulfonyl-4-methoxyindol-2-yl]sulfonylpiperidin-4-yl]methyl]methanesulfonamide;4-methoxy-1H-indole;N-(piperidin-4-ylmethyl)methanesulfonamide;2,2,2-trifluoroacetaldehyde

N,N-diethylethanamine;2-fluorobenzenesulfonyl chloride;N-[[1-[1-(2-fluorophenyl)sulfonyl-4-hydroxyindol-2-yl]sulfonylpiperidin-4-yl]methyl]methanesulfonamide;1-(2-fluorophenyl)sulfonyl-4-methoxyindole;1-(2-fluorophenyl)sulfonyl-4-methoxyindole-2-sulfonyl chloride;N-[[1-[1-(2-fluorophenyl)sulfonyl-4-methoxyindol-2-yl]sulfonylpiperidin-4-yl]methyl]methanesulfonamide;4-methoxy-1H-indole;N-(piperidin-4-ylmethyl)methanesulfonamide;2,2,2-trifluoroacetaldehyde (PubChem CID 159129143) has the molecular formula C103H118Cl2F8N12O28S11 and a molecular weight of 2547.76 g/mol. Its IUPAC name is N,N-diethylethanamine;2-fluorobenzenesulfonyl chloride;N-[[1-[1-(2-fluorophenyl)sulfonyl-4-hydroxyindol-2-yl]sulfonylpiperidin-4-yl]methyl]methanesulfonamide;1-(2-fluorophenyl)sulfonyl-4-methoxyindole;1-(2-fluorophenyl)sulfonyl-4-methoxyindole-2-sulfonyl chloride;N-[[1-[1-(2-fluorophenyl)sulfonyl-4-methoxyindol-2-yl]sulfonylpiperidin-4-yl]methyl]methanesulfonamide;4-methoxy-1H-indole;N-(piperidin-4-ylmethyl)methanesulfonamide;2,2,2-trifluoroacetaldehyde.

Molecular Properties

Compound NameN,N-diethylethanamine;2-fluorobenzenesulfonyl chloride;N-[[1-[1-(2-fluorophenyl)sulfonyl-4-hydroxyindol-2-yl]sulfonylpiperidin-4-yl]methyl]methanesulfonamide;1-(2-fluorophenyl)sulfonyl-4-methoxyindole;1-(2-fluorophenyl)sulfonyl-4-methoxyindole-2-sulfonyl chloride;N-[[1-[1-(2-fluorophenyl)sulfonyl-4-methoxyindol-2-yl]sulfonylpiperidin-4-yl]methyl]methanesulfonamide;4-methoxy-1H-indole;N-(piperidin-4-ylmethyl)methanesulfonamide;2,2,2-trifluoroacetaldehyde
PubChem CID159129143
Molecular FormulaC103H118Cl2F8N12O28S11
Molecular Weight2547.76 g/mol
Exact Mass2544.44
IUPAC NameN,N-diethylethanamine;2-fluorobenzenesulfonyl chloride;N-[[1-[1-(2-fluorophenyl)sulfonyl-4-hydroxyindol-2-yl]sulfonylpiperidin-4-yl]methyl]methanesulfonamide;1-(2-fluorophenyl)sulfonyl-4-methoxyindole;1-(2-fluorophenyl)sulfonyl-4-methoxyindole-2-sulfonyl chloride;N-[[1-[1-(2-fluorophenyl)sulfonyl-4-methoxyindol-2-yl]sulfonylpiperidin-4-yl]methyl]methanesulfonamide;4-methoxy-1H-indole;N-(piperidin-4-ylmethyl)methanesulfonamide;2,2,2-trifluoroacetaldehyde
SMILESCCN(CC)CC.COc1cccc2[nH]ccc12.COc1cccc2c1cc(S(=O)(=O)Cl)n2S(=O)(=O)c1ccccc1F.COc1cccc2c1cc(S(=O)(=O)N1CCC(CNS(C)(=O)=O)CC1)n2S(=O)(=O)c1ccccc1F.COc1cccc2c1ccn2S(=O)(=O)c1ccccc1F.CS(=O)(=O)NCC1CCN(S(=O)(=O)c2cc3c(O)cccc3n2S(=O)(=O)c2ccccc2F)CC1.CS(=O)(=O)NCC1CCNCC1.O=CC(F)(F)F.O=S(=O)(Cl)c1ccccc1F
InChIInChI=1S/C22H26FN3O7S3.C21H24FN3O7S3.C15H11ClFNO5S2.C15H12FNO3S.C9H9NO.C7H16N2O2S.C6H4ClFO2S.C6H15N.C2HF3O/c1-33-20-8-5-7-19-17(20)14-22(26(19)35(29,30)21-9-4-3-6-18(21)23)36(31,32)25-12-10-16(11-13-25)15-24-34(2,27)28;1-33(27,28)23-14-15-9-11-24(12-10-15)35(31,32)21-13-16-18(6-4-7-19(16)26)25(21)34(29,30)20-8-3-2-5-17(20)22;1-23-13-7-4-6-12-10(13)9-15(24(16,19)20)18(12)25(21,22)14-8-3-2-5-11(14)17;1-20-14-7-4-6-13-11(14)9-10-17(13)21(18,19)15-8-3-2-5-12(15)16;1-11-9-4-2-3-8-7(9)5-6-10-8;1-12(10,11)9-6-7-2-4-8-5-3-7;7-11(9,10)6-4-2-1-3-5(6)8;1-4-7(5-2)6-3;3-2(4,5)1-6/h3-9,14,16,24H,10-13,15H2,1-2H3;2-8,13,15,23,26H,9-12,14H2,1H3;2-9H,1H3;2-10H,1H3;2-6,10H,1H3;7-9H,2-6H2,1H3;1-4H;4-6H2,1-3H3;1H
InChIKeyKGQSVDCDLPXYSU-UHFFFAOYSA-N
XLogP15.19
TPSA543.11 Ų
H-Bond Donors6
H-Bond Acceptors34
Rotatable Bonds30
Heavy Atoms164
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002547.76
LogP ≤ 515.19
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N,N-diethylethanamine;2-fluorobenzenesulfonyl chloride;N-[[1-[1-(2-fluorophenyl)sulfonyl-4-hydroxyindol-2-yl]sulfonylpiperidin-4-yl]methyl]methanesulfonamide;1-(2-fluorophenyl)sulfonyl-4-methoxyindole;1-(2-fluorophenyl)sulfonyl-4-methoxyindole-2-sulfonyl chloride;N-[[1-[1-(2-fluorophenyl)sulfonyl-4-methoxyindol-2-yl]sulfonylpiperidin-4-yl]methyl]methanesulfonamide;4-methoxy-1H-indole;N-(piperidin-4-ylmethyl)methanesulfonamide;2,2,2-trifluoroacetaldehyde with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-diethylethanamine;2-fluorobenzenesulfonyl chloride;N-[[1-[1-(2-fluorophenyl)sulfonyl-4-hydroxyindol-2-yl]sulfonylpiperidin-4-yl]methyl]methanesulfonamide;1-(2-fluorophenyl)sulfonyl-4-methoxyindole;1-(2-fluorophenyl)sulfonyl-4-methoxyindole-2-sulfonyl chloride;N-[[1-[1-(2-fluorophenyl)sulfonyl-4-methoxyindol-2-yl]sulfonylpiperidin-4-yl]methyl]methanesulfonamide;4-methoxy-1H-indole;N-(piperidin-4-ylmethyl)methanesulfonamide;2,2,2-trifluoroacetaldehyde?
The IUPAC name of N,N-diethylethanamine;2-fluorobenzenesulfonyl chloride;N-[[1-[1-(2-fluorophenyl)sulfonyl-4-hydroxyindol-2-yl]sulfonylpiperidin-4-yl]methyl]methanesulfonamide;1-(2-fluorophenyl)sulfonyl-4-methoxyindole;1-(2-fluorophenyl)sulfonyl-4-methoxyindole-2-sulfonyl chloride;N-[[1-[1-(2-fluorophenyl)sulfonyl-4-methoxyindol-2-yl]sulfonylpiperidin-4-yl]methyl]methanesulfonamide;4-methoxy-1H-indole;N-(piperidin-4-ylmethyl)methanesulfonamide;2,2,2-trifluoroacetaldehyde (CID 159129143) is N,N-diethylethanamine;2-fluorobenzenesulfonyl chloride;N-[[1-[1-(2-fluorophenyl)sulfonyl-4-hydroxyindol-2-yl]sulfonylpiperidin-4-yl]methyl]methanesulfonamide;1-(2-fluorophenyl)sulfonyl-4-methoxyindole;1-(2-fluorophenyl)sulfonyl-4-methoxyindole-2-sulfonyl chloride;N-[[1-[1-(2-fluorophenyl)sulfonyl-4-methoxyindol-2-yl]sulfonylpiperidin-4-yl]methyl]methanesulfonamide;4-methoxy-1H-indole;N-(piperidin-4-ylmethyl)methanesulfonamide;2,2,2-trifluoroacetaldehyde.
What is the SMILES notation for N,N-diethylethanamine;2-fluorobenzenesulfonyl chloride;N-[[1-[1-(2-fluorophenyl)sulfonyl-4-hydroxyindol-2-yl]sulfonylpiperidin-4-yl]methyl]methanesulfonamide;1-(2-fluorophenyl)sulfonyl-4-methoxyindole;1-(2-fluorophenyl)sulfonyl-4-methoxyindole-2-sulfonyl chloride;N-[[1-[1-(2-fluorophenyl)sulfonyl-4-methoxyindol-2-yl]sulfonylpiperidin-4-yl]methyl]methanesulfonamide;4-methoxy-1H-indole;N-(piperidin-4-ylmethyl)methanesulfonamide;2,2,2-trifluoroacetaldehyde?
The canonical SMILES for N,N-diethylethanamine;2-fluorobenzenesulfonyl chloride;N-[[1-[1-(2-fluorophenyl)sulfonyl-4-hydroxyindol-2-yl]sulfonylpiperidin-4-yl]methyl]methanesulfonamide;1-(2-fluorophenyl)sulfonyl-4-methoxyindole;1-(2-fluorophenyl)sulfonyl-4-methoxyindole-2-sulfonyl chloride;N-[[1-[1-(2-fluorophenyl)sulfonyl-4-methoxyindol-2-yl]sulfonylpiperidin-4-yl]methyl]methanesulfonamide;4-methoxy-1H-indole;N-(piperidin-4-ylmethyl)methanesulfonamide;2,2,2-trifluoroacetaldehyde is CCN(CC)CC.COc1cccc2[nH]ccc12.COc1cccc2c1cc(S(=O)(=O)Cl)n2S(=O)(=O)c1ccccc1F.COc1cccc2c1cc(S(=O)(=O)N1CCC(CNS(C)(=O)=O)CC1)n2S(=O)(=O)c1ccccc1F.COc1cccc2c1ccn2S(=O)(=O)c1ccccc1F.CS(=O)(=O)NCC1CCN(S(=O)(=O)c2cc3c(O)cccc3n2S(=O)(=O)c2ccccc2F)CC1.CS(=O)(=O)NCC1CCNCC1.O=CC(F)(F)F.O=S(=O)(Cl)c1ccccc1F.
What is the InChIKey of N,N-diethylethanamine;2-fluorobenzenesulfonyl chloride;N-[[1-[1-(2-fluorophenyl)sulfonyl-4-hydroxyindol-2-yl]sulfonylpiperidin-4-yl]methyl]methanesulfonamide;1-(2-fluorophenyl)sulfonyl-4-methoxyindole;1-(2-fluorophenyl)sulfonyl-4-methoxyindole-2-sulfonyl chloride;N-[[1-[1-(2-fluorophenyl)sulfonyl-4-methoxyindol-2-yl]sulfonylpiperidin-4-yl]methyl]methanesulfonamide;4-methoxy-1H-indole;N-(piperidin-4-ylmethyl)methanesulfonamide;2,2,2-trifluoroacetaldehyde?
The InChIKey is KGQSVDCDLPXYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O7S3.C21H24FN3O7S3.C15H11ClFNO5S2.C15H12FNO3S.C9H9NO.C7H16N2O2S.C6H4ClFO2S.C6H15N.C2HF3O/c1-33-20-8-5-7-19-17(20)14-22(26(19)35(29,30)21-9-4-3-6-18(21)23)36(31,32)25-12-10-16(11-13-25)15-24-34(2,27)28;1-33(27,28)23-14-15-9-11-24(12-10-15)35(31,32)21-13-16-18(6-4-7-19(16)26)25(21)34(29,30)20-8-3-2-5-17(20)22;1-23-13-7-4-6-12-10(13)9-15(24(16,19)20)18(12)25(21,22)14-8-3-2-5-11(14)17;1-20-14-7-4-6-13-11(14)9-10-17(13)21(18,19)15-8-3-2-5-12(15)16;1-11-9-4-2-3-8-7(9)5-6-10-8;1-12(10,11)9-6-7-2-4-8-5-3-7;7-11(9,10)6-4-2-1-3-5(6)8;1-4-7(5-2)6-3;3-2(4,5)1-6/h3-9,14,16,24H,10-13,15H2,1-2H3;2-8,13,15,23,26H,9-12,14H2,1H3;2-9H,1H3;2-10H,1H3;2-6,10H,1H3;7-9H,2-6H2,1H3;1-4H;4-6H2,1-3H3;1H.
What are the key properties of N,N-diethylethanamine;2-fluorobenzenesulfonyl chloride;N-[[1-[1-(2-fluorophenyl)sulfonyl-4-hydroxyindol-2-yl]sulfonylpiperidin-4-yl]methyl]methanesulfonamide;1-(2-fluorophenyl)sulfonyl-4-methoxyindole;1-(2-fluorophenyl)sulfonyl-4-methoxyindole-2-sulfonyl chloride;N-[[1-[1-(2-fluorophenyl)sulfonyl-4-methoxyindol-2-yl]sulfonylpiperidin-4-yl]methyl]methanesulfonamide;4-methoxy-1H-indole;N-(piperidin-4-ylmethyl)methanesulfonamide;2,2,2-trifluoroacetaldehyde?
N,N-diethylethanamine;2-fluorobenzenesulfonyl chloride;N-[[1-[1-(2-fluorophenyl)sulfonyl-4-hydroxyindol-2-yl]sulfonylpiperidin-4-yl]methyl]methanesulfonamide;1-(2-fluorophenyl)sulfonyl-4-methoxyindole;1-(2-fluorophenyl)sulfonyl-4-methoxyindole-2-sulfonyl chloride;N-[[1-[1-(2-fluorophenyl)sulfonyl-4-methoxyindol-2-yl]sulfonylpiperidin-4-yl]methyl]methanesulfonamide;4-methoxy-1H-indole;N-(piperidin-4-ylmethyl)methanesulfonamide;2,2,2-trifluoroacetaldehyde has a molecular weight of 2547.76 g/mol, XLogP of 15.19, 30 rotatable bonds, 6 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylethanamine;2-fluorobenzenesulfonyl chloride;N-[[1-[1-(2-fluorophenyl)sulfonyl-4-hydroxyindol-2-yl]sulfonylpiperidin-4-yl]methyl]methanesulfonamide;1-(2-fluorophenyl)sulfonyl-4-methoxyindole;1-(2-fluorophenyl)sulfonyl-4-methoxyindole-2-sulfonyl chloride;N-[[1-[1-(2-fluorophenyl)sulfonyl-4-methoxyindol-2-yl]sulfonylpiperidin-4-yl]methyl]methanesulfonamide;4-methoxy-1H-indole;N-(piperidin-4-ylmethyl)methanesulfonamide;2,2,2-trifluoroacetaldehyde is sourced from PubChem (CID 159129143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).