N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methylbenzamide

C20H24N2O3S — CID 1010223

IUPACN-[4-(azepan-1-ylsulfonyl)phenyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1
InChIInChI=1S/C20H24N2O3S/c1-16-8-4-5-9-19(16)20(23)21-17-10-12-18(13-11-17)26(24,25)22-14-6-2-3-7-15-22/h4-5,8-13H,2-3,6-7,14-15H2,1H3,(H,21,23)
InChIKeyYIXYYBRKYAVYTC-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.81
Rot. Bonds4

About N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methylbenzamide

N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methylbenzamide (PubChem CID 1010223) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[4-(azepan-1-ylsulfonyl)phenyl]-2-methylbenzamide
PubChem CID1010223
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC NameN-[4-(azepan-1-ylsulfonyl)phenyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1
InChIInChI=1S/C20H24N2O3S/c1-16-8-4-5-9-19(16)20(23)21-17-10-12-18(13-11-17)26(24,25)22-14-6-2-3-7-15-22/h4-5,8-13H,2-3,6-7,14-15H2,1H3,(H,21,23)
InChIKeyYIXYYBRKYAVYTC-UHFFFAOYSA-N
XLogP3.81
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(azepan-1-ylsulfonyl)phenyl]-2,4-dimethylbenzamide
CID 26931358
2-iodo-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 1010360
2-fluoro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 1086858
2,4,5-trimethyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 100709394
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[methyl(methylsulfonyl)amino]benzamide
CID 1007928
N-(4-iodophenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 26638354
2-nitro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 5181244
1-N,4-N-bis[4-(azepan-1-ylsulfonyl)phenyl]benzene-1,4-dicarboxamide
CID 5167539
N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzamide
CID 2336918
5-(azepan-1-ylsulfonyl)-2-methyl-N-(2-methylphenyl)benzamide
CID 53281813
5-(azepan-1-ylsulfonyl)-N-(4-methoxyphenyl)-2-methylbenzamide
CID 53281671
2-[(4-fluorophenyl)sulfonylamino]-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 2337095

Frequently Asked Questions

What is the IUPAC name of N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methylbenzamide?
The IUPAC name of N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methylbenzamide (CID 1010223) is N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methylbenzamide.
What is the SMILES notation for N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methylbenzamide?
The canonical SMILES for N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methylbenzamide is Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1.
What is the InChIKey of N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methylbenzamide?
The InChIKey is YIXYYBRKYAVYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-16-8-4-5-9-19(16)20(23)21-17-10-12-18(13-11-17)26(24,25)22-14-6-2-3-7-15-22/h4-5,8-13H,2-3,6-7,14-15H2,1H3,(H,21,23).
What are the key properties of N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methylbenzamide?
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methylbenzamide has a molecular weight of 372.49 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methylbenzamide is sourced from PubChem (CID 1010223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).