4-(azepane-1-carbonyl)-N-(4-methoxyphenyl)benzenesulfonamide

C20H24N2O4S — CID 4789238

IUPAC4-(azepane-1-carbonyl)-N-(4-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCCCCC3)cc2)cc1
InChIInChI=1S/C20H24N2O4S/c1-26-18-10-8-17(9-11-18)21-27(24,25)19-12-6-16(7-13-19)20(23)22-14-4-2-3-5-15-22/h6-13,21H,2-5,14-15H2,1H3
InChIKeyCFLROMZYSCLTKV-UHFFFAOYSA-N
MW388.49 g/mol
LogP3.51
Rot. Bonds5

About 4-(azepane-1-carbonyl)-N-(4-methoxyphenyl)benzenesulfonamide

4-(azepane-1-carbonyl)-N-(4-methoxyphenyl)benzenesulfonamide (PubChem CID 4789238) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is 4-(azepane-1-carbonyl)-N-(4-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(azepane-1-carbonyl)-N-(4-methoxyphenyl)benzenesulfonamide
PubChem CID4789238
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name4-(azepane-1-carbonyl)-N-(4-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCCCCC3)cc2)cc1
InChIInChI=1S/C20H24N2O4S/c1-26-18-10-8-17(9-11-18)21-27(24,25)19-12-6-16(7-13-19)20(23)22-14-4-2-3-5-15-22/h6-13,21H,2-5,14-15H2,1H3
InChIKeyCFLROMZYSCLTKV-UHFFFAOYSA-N
XLogP3.51
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(azepane-1-carbonyl)-N-(4-methoxyphenyl)benzenesulfonamide?
The IUPAC name of 4-(azepane-1-carbonyl)-N-(4-methoxyphenyl)benzenesulfonamide (CID 4789238) is 4-(azepane-1-carbonyl)-N-(4-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 4-(azepane-1-carbonyl)-N-(4-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for 4-(azepane-1-carbonyl)-N-(4-methoxyphenyl)benzenesulfonamide is COc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCCCCC3)cc2)cc1.
What is the InChIKey of 4-(azepane-1-carbonyl)-N-(4-methoxyphenyl)benzenesulfonamide?
The InChIKey is CFLROMZYSCLTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-26-18-10-8-17(9-11-18)21-27(24,25)19-12-6-16(7-13-19)20(23)22-14-4-2-3-5-15-22/h6-13,21H,2-5,14-15H2,1H3.
What are the key properties of 4-(azepane-1-carbonyl)-N-(4-methoxyphenyl)benzenesulfonamide?
4-(azepane-1-carbonyl)-N-(4-methoxyphenyl)benzenesulfonamide has a molecular weight of 388.49 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepane-1-carbonyl)-N-(4-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 4789238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).