N-[4-(azepane-1-carbonyl)phenyl]-3-methoxybenzenesulfonamide

C20H24N2O4S — CID 984646

IUPACN-[4-(azepane-1-carbonyl)phenyl]-3-methoxybenzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)c1
InChIInChI=1S/C20H24N2O4S/c1-26-18-7-6-8-19(15-18)27(24,25)21-17-11-9-16(10-12-17)20(23)22-13-4-2-3-5-14-22/h6-12,15,21H,2-5,13-14H2,1H3
InChIKeyRKUUFWNFWUYYCQ-UHFFFAOYSA-N
MW388.49 g/mol
LogP3.51
Rot. Bonds5

About N-[4-(azepane-1-carbonyl)phenyl]-3-methoxybenzenesulfonamide

N-[4-(azepane-1-carbonyl)phenyl]-3-methoxybenzenesulfonamide (PubChem CID 984646) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-[4-(azepane-1-carbonyl)phenyl]-3-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(azepane-1-carbonyl)phenyl]-3-methoxybenzenesulfonamide
PubChem CID984646
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC NameN-[4-(azepane-1-carbonyl)phenyl]-3-methoxybenzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)c1
InChIInChI=1S/C20H24N2O4S/c1-26-18-7-6-8-19(15-18)27(24,25)21-17-11-9-16(10-12-17)20(23)22-13-4-2-3-5-14-22/h6-12,15,21H,2-5,13-14H2,1H3
InChIKeyRKUUFWNFWUYYCQ-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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Related Compounds

N-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-3-methoxybenzenesulfonamide
CID 984649
1-[4-[(3-methoxyphenyl)sulfonylamino]benzoyl]-N-(2-methylpropyl)piperidine-4-carboxamide
CID 20973116
methyl 4-[[3-(pyrrolidine-1-carbonyl)phenyl]sulfonylamino]benzoate
CID 47946370
N-(4-acetylphenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 47946202
N-(4-methylphenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 2361079
3-(azocane-1-carbonyl)-N-(4-methylphenyl)benzenesulfonamide
CID 24982887
N-(4-methoxyphenyl)-3-(4-methylpiperazine-1-carbonyl)benzenesulfonamide
CID 7908038
3-(azocane-1-carbonyl)-N-(4-ethoxyphenyl)benzenesulfonamide
CID 55370420
3-(azepane-1-carbonyl)-N-(4-ethoxyphenyl)benzenesulfonamide
CID 9314938
3-(azepane-1-carbonyl)-N-phenylbenzenesulfonamide
CID 56919558
azepan-1-yl-(3-methoxyphenyl)methanone
CID 669437
3-[4-(cyclohexylmethyl)piperazine-1-carbonyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 55987572

Frequently Asked Questions

What is the IUPAC name of N-[4-(azepane-1-carbonyl)phenyl]-3-methoxybenzenesulfonamide?
The IUPAC name of N-[4-(azepane-1-carbonyl)phenyl]-3-methoxybenzenesulfonamide (CID 984646) is N-[4-(azepane-1-carbonyl)phenyl]-3-methoxybenzenesulfonamide.
What is the SMILES notation for N-[4-(azepane-1-carbonyl)phenyl]-3-methoxybenzenesulfonamide?
The canonical SMILES for N-[4-(azepane-1-carbonyl)phenyl]-3-methoxybenzenesulfonamide is COc1cccc(S(=O)(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)c1.
What is the InChIKey of N-[4-(azepane-1-carbonyl)phenyl]-3-methoxybenzenesulfonamide?
The InChIKey is RKUUFWNFWUYYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-26-18-7-6-8-19(15-18)27(24,25)21-17-11-9-16(10-12-17)20(23)22-13-4-2-3-5-14-22/h6-12,15,21H,2-5,13-14H2,1H3.
What are the key properties of N-[4-(azepane-1-carbonyl)phenyl]-3-methoxybenzenesulfonamide?
N-[4-(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-[4-(azepane-1-carbonyl)phenyl]-3-methoxybenzenesulfonamide is sourced from PubChem (CID 984646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).