N-[3-(azepane-1-carbonyl)phenyl]-3-methoxybenzenesulfonamide

C20H24N2O4S — CID 984910

IUPACN-[3-(azepane-1-carbonyl)phenyl]-3-methoxybenzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)Nc2cccc(C(=O)N3CCCCCC3)c2)c1
InChIInChI=1S/C20H24N2O4S/c1-26-18-10-7-11-19(15-18)27(24,25)21-17-9-6-8-16(14-17)20(23)22-12-4-2-3-5-13-22/h6-11,14-15,21H,2-5,12-13H2,1H3
InChIKeyNCQNKKWQVKFREW-UHFFFAOYSA-N
MW388.49 g/mol
LogP3.51
Rot. Bonds5

About N-[3-(azepane-1-carbonyl)phenyl]-3-methoxybenzenesulfonamide

N-[3-(azepane-1-carbonyl)phenyl]-3-methoxybenzenesulfonamide (PubChem CID 984910) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-[3-(azepane-1-carbonyl)phenyl]-3-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(azepane-1-carbonyl)phenyl]-3-methoxybenzenesulfonamide
PubChem CID984910
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC NameN-[3-(azepane-1-carbonyl)phenyl]-3-methoxybenzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)Nc2cccc(C(=O)N3CCCCCC3)c2)c1
InChIInChI=1S/C20H24N2O4S/c1-26-18-10-7-11-19(15-18)27(24,25)21-17-9-6-8-16(14-17)20(23)22-12-4-2-3-5-13-22/h6-11,14-15,21H,2-5,12-13H2,1H3
InChIKeyNCQNKKWQVKFREW-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

Analyze N-[3-(azepane-1-carbonyl)phenyl]-3-methoxybenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzoyl-N-hydroxy-4-(4-methoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxamide
CID 9869819
5-(azepane-1-carbonyl)-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide
CID 2431964
4-[(2-methoxyphenyl)sulfamoyl]-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 2519306
4-(azepane-1-carbonyl)-N-(4-methoxyphenyl)benzenesulfonamide
CID 4789238
4-(4-acetylphenoxy)-N-[3-(azepan-1-ylsulfonyl)phenyl]butanamide
CID 4803938
2-(4-Methoxy-benzenesulfonylamino)-N-((S)-1-phenyl-propyl)-benzamide
CID 44327937
N-(2-methoxyphenyl)-3-(piperidin-1-ylsulfonyl)benzamide
CID 1124158
4-Ethoxy-N-[2-(morpholine-4-carbonyl)-phenyl]-benzenesulfonamide
CID 1090677
N-(3-Methoxy-phenyl)-4-(pyrrolidine-1-sulfonyl)-benzamide
CID 1164167
N-(3-acetylphenyl)-2,5-dimethoxybenzenesulfonamide
CID 768881
3-methoxy-N-(4-(4-phenylpiperazine-1-carbonyl)benzyl)benzenesulfonamide
CID 984423
3-methoxy-N-(4-{[4-(4-methoxyphenyl)-1-piperazinyl]carbonyl}benzyl)benzenesulfonamide
CID 984429

Frequently Asked Questions

What is the IUPAC name of N-[3-(azepane-1-carbonyl)phenyl]-3-methoxybenzenesulfonamide?
The IUPAC name of N-[3-(azepane-1-carbonyl)phenyl]-3-methoxybenzenesulfonamide (CID 984910) is N-[3-(azepane-1-carbonyl)phenyl]-3-methoxybenzenesulfonamide.
What is the SMILES notation for N-[3-(azepane-1-carbonyl)phenyl]-3-methoxybenzenesulfonamide?
The canonical SMILES for N-[3-(azepane-1-carbonyl)phenyl]-3-methoxybenzenesulfonamide is COc1cccc(S(=O)(=O)Nc2cccc(C(=O)N3CCCCCC3)c2)c1.
What is the InChIKey of N-[3-(azepane-1-carbonyl)phenyl]-3-methoxybenzenesulfonamide?
The InChIKey is NCQNKKWQVKFREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-26-18-10-7-11-19(15-18)27(24,25)21-17-9-6-8-16(14-17)20(23)22-12-4-2-3-5-13-22/h6-11,14-15,21H,2-5,12-13H2,1H3.
What are the key properties of N-[3-(azepane-1-carbonyl)phenyl]-3-methoxybenzenesulfonamide?
N-[3-(azepane-1-carbonyl)phenyl]-3-methoxybenzenesulfonamide 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 N-[3-(azepane-1-carbonyl)phenyl]-3-methoxybenzenesulfonamide is sourced from PubChem (CID 984910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).