4-amino-N-[2-(dimethylamino)ethyl]benzenesulfonamide;6-(2-chloro-5-fluoropyrimidin-4-yl)-8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;N-[2-(dimethylamino)ethyl]-4-[[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]methyl]benzenesulfonamide;N-[2-(dimethylamino)ethyl]-4-nitrobenzenesulfonamide;N',N'-dimethylethane-1,2-diamine;4-nitrobenzenesulfonyl chloride

C71H93Cl2F4N17O14S4 — CID 160668340

IUPAC4-amino-N-[2-(dimethylamino)ethyl]benzenesulfonamide;6-(2-chloro-5-fluoropyrimidin-4-yl)-8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;N-[2-(dimethylamino)ethyl]-4-[[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]methyl]benzenesulfonamide;N-[2-(dimethylamino)ethyl]-4-nitrobenzenesulfonamide;N',N'-dimethylethane-1,2-diamine;4-nitrobenzenesulfonyl chloride
SMILESCC(C)N1CCOc2c(F)cc(-c3nc(Cc4ccc(S(=O)(=O)NCCN(C)C)cc4)ncc3F)cc21.CC(C)N1CCOc2c(F)cc(-c3nc(Cl)ncc3F)cc21.CN(C)CCN.CN(C)CCNS(=O)(=O)c1ccc(N)cc1.CN(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1.O=[N+]([O-])c1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C26H31F2N5O3S.C15H14ClF2N3O.C10H15N3O4S.C10H17N3O2S.C6H4ClNO4S.C4H12N2/c1-17(2)33-11-12-36-26-21(27)14-19(15-23(26)33)25-22(28)16-29-24(31-25)13-18-5-7-20(8-6-18)37(34,35)30-9-10-32(3)4;1-8(2)21-3-4-22-14-10(17)5-9(6-12(14)21)13-11(18)7-19-15(16)20-13;1-12(2)8-7-11-18(16,17)10-5-3-9(4-6-10)13(14)15;1-13(2)8-7-12-16(14,15)10-5-3-9(11)4-6-10;7-13(11,12)6-3-1-5(2-4-6)8(9)10;1-6(2)4-3-5/h5-8,14-17,30H,9-13H2,1-4H3;5-8H,3-4H2,1-2H3;3-6,11H,7-8H2,1-2H3;3-6,12H,7-8,11H2,1-2H3;1-4H;3-5H2,1-2H3
InChIKeyRMPJWCIQBBAYGJ-UHFFFAOYSA-N
MW1683.80 g/mol
LogP8.71
Rot. Bonds26

About 4-amino-N-[2-(dimethylamino)ethyl]benzenesulfonamide;6-(2-chloro-5-fluoropyrimidin-4-yl)-8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;N-[2-(dimethylamino)ethyl]-4-[[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]methyl]benzenesulfonamide;N-[2-(dimethylamino)ethyl]-4-nitrobenzenesulfonamide;N',N'-dimethylethane-1,2-diamine;4-nitrobenzenesulfonyl chloride

4-amino-N-[2-(dimethylamino)ethyl]benzenesulfonamide;6-(2-chloro-5-fluoropyrimidin-4-yl)-8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;N-[2-(dimethylamino)ethyl]-4-[[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]methyl]benzenesulfonamide;N-[2-(dimethylamino)ethyl]-4-nitrobenzenesulfonamide;N',N'-dimethylethane-1,2-diamine;4-nitrobenzenesulfonyl chloride (PubChem CID 160668340) has the molecular formula C71H93Cl2F4N17O14S4 and a molecular weight of 1683.80 g/mol. Its IUPAC name is 4-amino-N-[2-(dimethylamino)ethyl]benzenesulfonamide;6-(2-chloro-5-fluoropyrimidin-4-yl)-8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;N-[2-(dimethylamino)ethyl]-4-[[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]methyl]benzenesulfonamide;N-[2-(dimethylamino)ethyl]-4-nitrobenzenesulfonamide;N',N'-dimethylethane-1,2-diamine;4-nitrobenzenesulfonyl chloride.

Molecular Properties

Compound Name4-amino-N-[2-(dimethylamino)ethyl]benzenesulfonamide;6-(2-chloro-5-fluoropyrimidin-4-yl)-8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;N-[2-(dimethylamino)ethyl]-4-[[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]methyl]benzenesulfonamide;N-[2-(dimethylamino)ethyl]-4-nitrobenzenesulfonamide;N',N'-dimethylethane-1,2-diamine;4-nitrobenzenesulfonyl chloride
PubChem CID160668340
Molecular FormulaC71H93Cl2F4N17O14S4
Molecular Weight1683.80 g/mol
Exact Mass1681.53
IUPAC Name4-amino-N-[2-(dimethylamino)ethyl]benzenesulfonamide;6-(2-chloro-5-fluoropyrimidin-4-yl)-8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;N-[2-(dimethylamino)ethyl]-4-[[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]methyl]benzenesulfonamide;N-[2-(dimethylamino)ethyl]-4-nitrobenzenesulfonamide;N',N'-dimethylethane-1,2-diamine;4-nitrobenzenesulfonyl chloride
SMILESCC(C)N1CCOc2c(F)cc(-c3nc(Cc4ccc(S(=O)(=O)NCCN(C)C)cc4)ncc3F)cc21.CC(C)N1CCOc2c(F)cc(-c3nc(Cl)ncc3F)cc21.CN(C)CCN.CN(C)CCNS(=O)(=O)c1ccc(N)cc1.CN(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1.O=[N+]([O-])c1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C26H31F2N5O3S.C15H14ClF2N3O.C10H15N3O4S.C10H17N3O2S.C6H4ClNO4S.C4H12N2/c1-17(2)33-11-12-36-26-21(27)14-19(15-23(26)33)25-22(28)16-29-24(31-25)13-18-5-7-20(8-6-18)37(34,35)30-9-10-32(3)4;1-8(2)21-3-4-22-14-10(17)5-9(6-12(14)21)13-11(18)7-19-15(16)20-13;1-12(2)8-7-11-18(16,17)10-5-3-9(4-6-10)13(14)15;1-13(2)8-7-12-16(14,15)10-5-3-9(11)4-6-10;7-13(11,12)6-3-1-5(2-4-6)8(9)10;1-6(2)4-3-5/h5-8,14-17,30H,9-13H2,1-4H3;5-8H,3-4H2,1-2H3;3-6,11H,7-8H2,1-2H3;3-6,12H,7-8,11H2,1-2H3;1-4H;3-5H2,1-2H3
InChIKeyRMPJWCIQBBAYGJ-UHFFFAOYSA-N
XLogP8.71
TPSA400.43 Ų
H-Bond Donors5
H-Bond Acceptors26
Rotatable Bonds26
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001683.80
LogP ≤ 58.71
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-amino-N-[2-(dimethylamino)ethyl]benzenesulfonamide;6-(2-chloro-5-fluoropyrimidin-4-yl)-8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;N-[2-(dimethylamino)ethyl]-4-[[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]methyl]benzenesulfonamide;N-[2-(dimethylamino)ethyl]-4-nitrobenzenesulfonamide;N',N'-dimethylethane-1,2-diamine;4-nitrobenzenesulfonyl chloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(dimethylamino)ethyl]benzenesulfonamide;6-(2-chloro-5-fluoropyrimidin-4-yl)-8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;N-[2-(dimethylamino)ethyl]-4-[[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]methyl]benzenesulfonamide;N-[2-(dimethylamino)ethyl]-4-nitrobenzenesulfonamide;N',N'-dimethylethane-1,2-diamine;4-nitrobenzenesulfonyl chloride?
The IUPAC name of 4-amino-N-[2-(dimethylamino)ethyl]benzenesulfonamide;6-(2-chloro-5-fluoropyrimidin-4-yl)-8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;N-[2-(dimethylamino)ethyl]-4-[[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]methyl]benzenesulfonamide;N-[2-(dimethylamino)ethyl]-4-nitrobenzenesulfonamide;N',N'-dimethylethane-1,2-diamine;4-nitrobenzenesulfonyl chloride (CID 160668340) is 4-amino-N-[2-(dimethylamino)ethyl]benzenesulfonamide;6-(2-chloro-5-fluoropyrimidin-4-yl)-8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;N-[2-(dimethylamino)ethyl]-4-[[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]methyl]benzenesulfonamide;N-[2-(dimethylamino)ethyl]-4-nitrobenzenesulfonamide;N',N'-dimethylethane-1,2-diamine;4-nitrobenzenesulfonyl chloride.
What is the SMILES notation for 4-amino-N-[2-(dimethylamino)ethyl]benzenesulfonamide;6-(2-chloro-5-fluoropyrimidin-4-yl)-8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;N-[2-(dimethylamino)ethyl]-4-[[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]methyl]benzenesulfonamide;N-[2-(dimethylamino)ethyl]-4-nitrobenzenesulfonamide;N',N'-dimethylethane-1,2-diamine;4-nitrobenzenesulfonyl chloride?
The canonical SMILES for 4-amino-N-[2-(dimethylamino)ethyl]benzenesulfonamide;6-(2-chloro-5-fluoropyrimidin-4-yl)-8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;N-[2-(dimethylamino)ethyl]-4-[[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]methyl]benzenesulfonamide;N-[2-(dimethylamino)ethyl]-4-nitrobenzenesulfonamide;N',N'-dimethylethane-1,2-diamine;4-nitrobenzenesulfonyl chloride is CC(C)N1CCOc2c(F)cc(-c3nc(Cc4ccc(S(=O)(=O)NCCN(C)C)cc4)ncc3F)cc21.CC(C)N1CCOc2c(F)cc(-c3nc(Cl)ncc3F)cc21.CN(C)CCN.CN(C)CCNS(=O)(=O)c1ccc(N)cc1.CN(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1.O=[N+]([O-])c1ccc(S(=O)(=O)Cl)cc1.
What is the InChIKey of 4-amino-N-[2-(dimethylamino)ethyl]benzenesulfonamide;6-(2-chloro-5-fluoropyrimidin-4-yl)-8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;N-[2-(dimethylamino)ethyl]-4-[[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]methyl]benzenesulfonamide;N-[2-(dimethylamino)ethyl]-4-nitrobenzenesulfonamide;N',N'-dimethylethane-1,2-diamine;4-nitrobenzenesulfonyl chloride?
The InChIKey is RMPJWCIQBBAYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31F2N5O3S.C15H14ClF2N3O.C10H15N3O4S.C10H17N3O2S.C6H4ClNO4S.C4H12N2/c1-17(2)33-11-12-36-26-21(27)14-19(15-23(26)33)25-22(28)16-29-24(31-25)13-18-5-7-20(8-6-18)37(34,35)30-9-10-32(3)4;1-8(2)21-3-4-22-14-10(17)5-9(6-12(14)21)13-11(18)7-19-15(16)20-13;1-12(2)8-7-11-18(16,17)10-5-3-9(4-6-10)13(14)15;1-13(2)8-7-12-16(14,15)10-5-3-9(11)4-6-10;7-13(11,12)6-3-1-5(2-4-6)8(9)10;1-6(2)4-3-5/h5-8,14-17,30H,9-13H2,1-4H3;5-8H,3-4H2,1-2H3;3-6,11H,7-8H2,1-2H3;3-6,12H,7-8,11H2,1-2H3;1-4H;3-5H2,1-2H3.
What are the key properties of 4-amino-N-[2-(dimethylamino)ethyl]benzenesulfonamide;6-(2-chloro-5-fluoropyrimidin-4-yl)-8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;N-[2-(dimethylamino)ethyl]-4-[[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]methyl]benzenesulfonamide;N-[2-(dimethylamino)ethyl]-4-nitrobenzenesulfonamide;N',N'-dimethylethane-1,2-diamine;4-nitrobenzenesulfonyl chloride?
4-amino-N-[2-(dimethylamino)ethyl]benzenesulfonamide;6-(2-chloro-5-fluoropyrimidin-4-yl)-8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;N-[2-(dimethylamino)ethyl]-4-[[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]methyl]benzenesulfonamide;N-[2-(dimethylamino)ethyl]-4-nitrobenzenesulfonamide;N',N'-dimethylethane-1,2-diamine;4-nitrobenzenesulfonyl chloride has a molecular weight of 1683.80 g/mol, XLogP of 8.71, 26 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(dimethylamino)ethyl]benzenesulfonamide;6-(2-chloro-5-fluoropyrimidin-4-yl)-8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;N-[2-(dimethylamino)ethyl]-4-[[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]methyl]benzenesulfonamide;N-[2-(dimethylamino)ethyl]-4-nitrobenzenesulfonamide;N',N'-dimethylethane-1,2-diamine;4-nitrobenzenesulfonyl chloride is sourced from PubChem (CID 160668340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).