4-(cyclohexylmethyl)-3-[2-(2-hydroxyethyl)tetrazol-5-yl]-N-methylbenzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-[2-(1-methylsulfonylpyrrolidin-3-yl)tetrazol-5-yl]benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-[2-(1-prop-1-en-2-ylpyrrolidin-3-yl)tetrazol-5-yl]benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-(2-pyridin-3-yltetrazol-5-yl)benzenesulfonamide

C79H111N23O11S5 — CID 163685676

IUPAC4-(cyclohexylmethyl)-3-[2-(2-hydroxyethyl)tetrazol-5-yl]-N-methylbenzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-[2-(1-methylsulfonylpyrrolidin-3-yl)tetrazol-5-yl]benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-[2-(1-prop-1-en-2-ylpyrrolidin-3-yl)tetrazol-5-yl]benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-(2-pyridin-3-yltetrazol-5-yl)benzenesulfonamide
SMILESC=C(C)N1CCC(n2nnc(-c3cc(S(=O)(=O)NC)ccc3CC3CCCCC3)n2)C1.CNS(=O)(=O)c1ccc(CC2CCCCC2)c(-c2nnn(-c3cccnc3)n2)c1.CNS(=O)(=O)c1ccc(CC2CCCCC2)c(-c2nnn(C3CCN(S(C)(=O)=O)C3)n2)c1.CNS(=O)(=O)c1ccc(CC2CCCCC2)c(-c2nnn(CCO)n2)c1
InChIInChI=1S/C22H32N6O2S.C20H30N6O4S2.C20H24N6O2S.C17H25N5O3S/c1-16(2)27-12-11-19(15-27)28-25-22(24-26-28)21-14-20(31(29,30)23-3)10-9-18(21)13-17-7-5-4-6-8-17;1-21-32(29,30)18-9-8-16(12-15-6-4-3-5-7-15)19(13-18)20-22-24-26(23-20)17-10-11-25(14-17)31(2,27)28;1-21-29(27,28)18-10-9-16(12-15-6-3-2-4-7-15)19(13-18)20-23-25-26(24-20)17-8-5-11-22-14-17;1-18-26(24,25)15-8-7-14(11-13-5-3-2-4-6-13)16(12-15)17-19-21-22(20-17)9-10-23/h9-10,14,17,19,23H,1,4-8,11-13,15H2,2-3H3;8-9,13,15,17,21H,3-7,10-12,14H2,1-2H3;5,8-11,13-15,21H,2-4,6-7,12H2,1H3;7-8,12-13,18,23H,2-6,9-11H2,1H3
InChIKeyJOQXAKJONCPQLR-UHFFFAOYSA-N
MW1719.24 g/mol
LogP8.85
Rot. Bonds27

About 4-(cyclohexylmethyl)-3-[2-(2-hydroxyethyl)tetrazol-5-yl]-N-methylbenzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-[2-(1-methylsulfonylpyrrolidin-3-yl)tetrazol-5-yl]benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-[2-(1-prop-1-en-2-ylpyrrolidin-3-yl)tetrazol-5-yl]benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-(2-pyridin-3-yltetrazol-5-yl)benzenesulfonamide

4-(cyclohexylmethyl)-3-[2-(2-hydroxyethyl)tetrazol-5-yl]-N-methylbenzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-[2-(1-methylsulfonylpyrrolidin-3-yl)tetrazol-5-yl]benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-[2-(1-prop-1-en-2-ylpyrrolidin-3-yl)tetrazol-5-yl]benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-(2-pyridin-3-yltetrazol-5-yl)benzenesulfonamide (PubChem CID 163685676) has the molecular formula C79H111N23O11S5 and a molecular weight of 1719.24 g/mol. Its IUPAC name is 4-(cyclohexylmethyl)-3-[2-(2-hydroxyethyl)tetrazol-5-yl]-N-methylbenzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-[2-(1-methylsulfonylpyrrolidin-3-yl)tetrazol-5-yl]benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-[2-(1-prop-1-en-2-ylpyrrolidin-3-yl)tetrazol-5-yl]benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-(2-pyridin-3-yltetrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(cyclohexylmethyl)-3-[2-(2-hydroxyethyl)tetrazol-5-yl]-N-methylbenzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-[2-(1-methylsulfonylpyrrolidin-3-yl)tetrazol-5-yl]benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-[2-(1-prop-1-en-2-ylpyrrolidin-3-yl)tetrazol-5-yl]benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-(2-pyridin-3-yltetrazol-5-yl)benzenesulfonamide
PubChem CID163685676
Molecular FormulaC79H111N23O11S5
Molecular Weight1719.24 g/mol
Exact Mass1717.74
IUPAC Name4-(cyclohexylmethyl)-3-[2-(2-hydroxyethyl)tetrazol-5-yl]-N-methylbenzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-[2-(1-methylsulfonylpyrrolidin-3-yl)tetrazol-5-yl]benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-[2-(1-prop-1-en-2-ylpyrrolidin-3-yl)tetrazol-5-yl]benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-(2-pyridin-3-yltetrazol-5-yl)benzenesulfonamide
SMILESC=C(C)N1CCC(n2nnc(-c3cc(S(=O)(=O)NC)ccc3CC3CCCCC3)n2)C1.CNS(=O)(=O)c1ccc(CC2CCCCC2)c(-c2nnn(-c3cccnc3)n2)c1.CNS(=O)(=O)c1ccc(CC2CCCCC2)c(-c2nnn(C3CCN(S(C)(=O)=O)C3)n2)c1.CNS(=O)(=O)c1ccc(CC2CCCCC2)c(-c2nnn(CCO)n2)c1
InChIInChI=1S/C22H32N6O2S.C20H30N6O4S2.C20H24N6O2S.C17H25N5O3S/c1-16(2)27-12-11-19(15-27)28-25-22(24-26-28)21-14-20(31(29,30)23-3)10-9-18(21)13-17-7-5-4-6-8-17;1-21-32(29,30)18-9-8-16(12-15-6-4-3-5-7-15)19(13-18)20-22-24-26(23-20)17-10-11-25(14-17)31(2,27)28;1-21-29(27,28)18-10-9-16(12-15-6-3-2-4-7-15)19(13-18)20-23-25-26(24-20)17-8-5-11-22-14-17;1-18-26(24,25)15-8-7-14(11-13-5-3-2-4-6-13)16(12-15)17-19-21-22(20-17)9-10-23/h9-10,14,17,19,23H,1,4-8,11-13,15H2,2-3H3;8-9,13,15,17,21H,3-7,10-12,14H2,1-2H3;5,8-11,13-15,21H,2-4,6-7,12H2,1H3;7-8,12-13,18,23H,2-6,9-11H2,1H3
InChIKeyJOQXAKJONCPQLR-UHFFFAOYSA-N
XLogP8.85
TPSA432.82 Ų
H-Bond Donors5
H-Bond Acceptors29
Rotatable Bonds27
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001719.24
LogP ≤ 58.85
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1029

Analyze 4-(cyclohexylmethyl)-3-[2-(2-hydroxyethyl)tetrazol-5-yl]-N-methylbenzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-[2-(1-methylsulfonylpyrrolidin-3-yl)tetrazol-5-yl]benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-[2-(1-prop-1-en-2-ylpyrrolidin-3-yl)tetrazol-5-yl]benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-(2-pyridin-3-yltetrazol-5-yl)benzenesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethyl)-3-[2-(2-hydroxyethyl)tetrazol-5-yl]-N-methylbenzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-[2-(1-methylsulfonylpyrrolidin-3-yl)tetrazol-5-yl]benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-[2-(1-prop-1-en-2-ylpyrrolidin-3-yl)tetrazol-5-yl]benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-(2-pyridin-3-yltetrazol-5-yl)benzenesulfonamide?
The IUPAC name of 4-(cyclohexylmethyl)-3-[2-(2-hydroxyethyl)tetrazol-5-yl]-N-methylbenzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-[2-(1-methylsulfonylpyrrolidin-3-yl)tetrazol-5-yl]benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-[2-(1-prop-1-en-2-ylpyrrolidin-3-yl)tetrazol-5-yl]benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-(2-pyridin-3-yltetrazol-5-yl)benzenesulfonamide (CID 163685676) is 4-(cyclohexylmethyl)-3-[2-(2-hydroxyethyl)tetrazol-5-yl]-N-methylbenzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-[2-(1-methylsulfonylpyrrolidin-3-yl)tetrazol-5-yl]benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-[2-(1-prop-1-en-2-ylpyrrolidin-3-yl)tetrazol-5-yl]benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-(2-pyridin-3-yltetrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-(cyclohexylmethyl)-3-[2-(2-hydroxyethyl)tetrazol-5-yl]-N-methylbenzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-[2-(1-methylsulfonylpyrrolidin-3-yl)tetrazol-5-yl]benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-[2-(1-prop-1-en-2-ylpyrrolidin-3-yl)tetrazol-5-yl]benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-(2-pyridin-3-yltetrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-(cyclohexylmethyl)-3-[2-(2-hydroxyethyl)tetrazol-5-yl]-N-methylbenzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-[2-(1-methylsulfonylpyrrolidin-3-yl)tetrazol-5-yl]benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-[2-(1-prop-1-en-2-ylpyrrolidin-3-yl)tetrazol-5-yl]benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-(2-pyridin-3-yltetrazol-5-yl)benzenesulfonamide is C=C(C)N1CCC(n2nnc(-c3cc(S(=O)(=O)NC)ccc3CC3CCCCC3)n2)C1.CNS(=O)(=O)c1ccc(CC2CCCCC2)c(-c2nnn(-c3cccnc3)n2)c1.CNS(=O)(=O)c1ccc(CC2CCCCC2)c(-c2nnn(C3CCN(S(C)(=O)=O)C3)n2)c1.CNS(=O)(=O)c1ccc(CC2CCCCC2)c(-c2nnn(CCO)n2)c1.
What is the InChIKey of 4-(cyclohexylmethyl)-3-[2-(2-hydroxyethyl)tetrazol-5-yl]-N-methylbenzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-[2-(1-methylsulfonylpyrrolidin-3-yl)tetrazol-5-yl]benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-[2-(1-prop-1-en-2-ylpyrrolidin-3-yl)tetrazol-5-yl]benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-(2-pyridin-3-yltetrazol-5-yl)benzenesulfonamide?
The InChIKey is JOQXAKJONCPQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N6O2S.C20H30N6O4S2.C20H24N6O2S.C17H25N5O3S/c1-16(2)27-12-11-19(15-27)28-25-22(24-26-28)21-14-20(31(29,30)23-3)10-9-18(21)13-17-7-5-4-6-8-17;1-21-32(29,30)18-9-8-16(12-15-6-4-3-5-7-15)19(13-18)20-22-24-26(23-20)17-10-11-25(14-17)31(2,27)28;1-21-29(27,28)18-10-9-16(12-15-6-3-2-4-7-15)19(13-18)20-23-25-26(24-20)17-8-5-11-22-14-17;1-18-26(24,25)15-8-7-14(11-13-5-3-2-4-6-13)16(12-15)17-19-21-22(20-17)9-10-23/h9-10,14,17,19,23H,1,4-8,11-13,15H2,2-3H3;8-9,13,15,17,21H,3-7,10-12,14H2,1-2H3;5,8-11,13-15,21H,2-4,6-7,12H2,1H3;7-8,12-13,18,23H,2-6,9-11H2,1H3.
What are the key properties of 4-(cyclohexylmethyl)-3-[2-(2-hydroxyethyl)tetrazol-5-yl]-N-methylbenzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-[2-(1-methylsulfonylpyrrolidin-3-yl)tetrazol-5-yl]benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-[2-(1-prop-1-en-2-ylpyrrolidin-3-yl)tetrazol-5-yl]benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-(2-pyridin-3-yltetrazol-5-yl)benzenesulfonamide?
4-(cyclohexylmethyl)-3-[2-(2-hydroxyethyl)tetrazol-5-yl]-N-methylbenzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-[2-(1-methylsulfonylpyrrolidin-3-yl)tetrazol-5-yl]benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-[2-(1-prop-1-en-2-ylpyrrolidin-3-yl)tetrazol-5-yl]benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-(2-pyridin-3-yltetrazol-5-yl)benzenesulfonamide has a molecular weight of 1719.24 g/mol, XLogP of 8.85, 27 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethyl)-3-[2-(2-hydroxyethyl)tetrazol-5-yl]-N-methylbenzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-[2-(1-methylsulfonylpyrrolidin-3-yl)tetrazol-5-yl]benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-[2-(1-prop-1-en-2-ylpyrrolidin-3-yl)tetrazol-5-yl]benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-(2-pyridin-3-yltetrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 163685676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).