4-(azepan-1-ylsulfonyl)-N-cyclohexylbenzenesulfonamide

C18H28N2O4S2 — CID 1167072

IUPAC4-(azepan-1-ylsulfonyl)-N-cyclohexylbenzenesulfonamide
SMILESO=S(=O)(NC1CCCCC1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1
InChIInChI=1S/C18H28N2O4S2/c21-25(22,19-16-8-4-3-5-9-16)17-10-12-18(13-11-17)26(23,24)20-14-6-1-2-7-15-20/h10-13,16,19H,1-9,14-15H2
InChIKeyCWVXCYZEXSZXRR-UHFFFAOYSA-N
MW400.57 g/mol
LogP2.86
Rot. Bonds5

About 4-(azepan-1-ylsulfonyl)-N-cyclohexylbenzenesulfonamide

4-(azepan-1-ylsulfonyl)-N-cyclohexylbenzenesulfonamide (PubChem CID 1167072) has the molecular formula C18H28N2O4S2 and a molecular weight of 400.57 g/mol. Its IUPAC name is 4-(azepan-1-ylsulfonyl)-N-cyclohexylbenzenesulfonamide.

Molecular Properties

Compound Name4-(azepan-1-ylsulfonyl)-N-cyclohexylbenzenesulfonamide
PubChem CID1167072
Molecular FormulaC18H28N2O4S2
Molecular Weight400.57 g/mol
Exact Mass400.15
IUPAC Name4-(azepan-1-ylsulfonyl)-N-cyclohexylbenzenesulfonamide
SMILESO=S(=O)(NC1CCCCC1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1
InChIInChI=1S/C18H28N2O4S2/c21-25(22,19-16-8-4-3-5-9-16)17-10-12-18(13-11-17)26(23,24)20-14-6-1-2-7-15-20/h10-13,16,19H,1-9,14-15H2
InChIKeyCWVXCYZEXSZXRR-UHFFFAOYSA-N
XLogP2.86
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.57
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-4-piperazin-1-ylsulfonylbenzenesulfonamide
CID 119961776
4-(4-aminopiperidin-1-yl)sulfonyl-N-cyclopropylbenzenesulfonamide
CID 119959258
N-cyclopropyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzenesulfonamide
CID 7130388
4-(3-aminopiperidin-1-yl)sulfonyl-N-cyclopropylbenzenesulfonamide;hydrochloride
CID 119959773
4-amino-N-cyclodecylbenzenesulfonamide
CID 90455423
N-cyclopropyl-4-(4-ethylpiperazin-1-yl)sulfonylbenzenesulfonamide
CID 1429249
N-[1-(4-piperidin-1-ylsulfonylphenyl)sulfonylpiperidin-3-yl]methanesulfonamide
CID 55663474
N-cyclotridecyl-4-(3-hydroxy-2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 146711957
N-piperidin-4-yl-3-piperidin-1-ylsulfonylbenzenesulfonamide
CID 119960493
N-cyclopropyl-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzenesulfonamide
CID 1429255
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-piperidin-1-ylsulfonylbenzenesulfonamide
CID 1166905
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-piperidin-1-ylsulfonylbenzenesulfonamide
CID 1166907

Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-ylsulfonyl)-N-cyclohexylbenzenesulfonamide?
The IUPAC name of 4-(azepan-1-ylsulfonyl)-N-cyclohexylbenzenesulfonamide (CID 1167072) is 4-(azepan-1-ylsulfonyl)-N-cyclohexylbenzenesulfonamide.
What is the SMILES notation for 4-(azepan-1-ylsulfonyl)-N-cyclohexylbenzenesulfonamide?
The canonical SMILES for 4-(azepan-1-ylsulfonyl)-N-cyclohexylbenzenesulfonamide is O=S(=O)(NC1CCCCC1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1.
What is the InChIKey of 4-(azepan-1-ylsulfonyl)-N-cyclohexylbenzenesulfonamide?
The InChIKey is CWVXCYZEXSZXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4S2/c21-25(22,19-16-8-4-3-5-9-16)17-10-12-18(13-11-17)26(23,24)20-14-6-1-2-7-15-20/h10-13,16,19H,1-9,14-15H2.
What are the key properties of 4-(azepan-1-ylsulfonyl)-N-cyclohexylbenzenesulfonamide?
4-(azepan-1-ylsulfonyl)-N-cyclohexylbenzenesulfonamide has a molecular weight of 400.57 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-ylsulfonyl)-N-cyclohexylbenzenesulfonamide is sourced from PubChem (CID 1167072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).