4-(azepan-1-ylsulfonyl)-N-(4-methyl-2-pyridinyl)benzamide

C19H23N3O3S — CID 2147569

IUPAC4-(azepan-1-ylsulfonyl)-N-(4-methyl-2-pyridinyl)benzamide
SMILESCc1ccnc(NC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1
InChIInChI=1S/C19H23N3O3S/c1-15-10-11-20-18(14-15)21-19(23)16-6-8-17(9-7-16)26(24,25)22-12-4-2-3-5-13-22/h6-11,14H,2-5,12-13H2,1H3,(H,20,21,23)
InChIKeyFZFYMXBXXYJYNY-UHFFFAOYSA-N
MW373.48 g/mol
LogP3.21
Rot. Bonds4

About 4-(azepan-1-ylsulfonyl)-N-(4-methyl-2-pyridinyl)benzamide

4-(azepan-1-ylsulfonyl)-N-(4-methyl-2-pyridinyl)benzamide (PubChem CID 2147569) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 4-(azepan-1-ylsulfonyl)-N-(4-methyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name4-(azepan-1-ylsulfonyl)-N-(4-methyl-2-pyridinyl)benzamide
PubChem CID2147569
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name4-(azepan-1-ylsulfonyl)-N-(4-methyl-2-pyridinyl)benzamide
SMILESCc1ccnc(NC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1
InChIInChI=1S/C19H23N3O3S/c1-15-10-11-20-18(14-15)21-19(23)16-6-8-17(9-7-16)26(24,25)22-12-4-2-3-5-13-22/h6-11,14H,2-5,12-13H2,1H3,(H,20,21,23)
InChIKeyFZFYMXBXXYJYNY-UHFFFAOYSA-N
XLogP3.21
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methyl-2-pyridinyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 35029071
4-methoxy-N-(4-methyl-2-pyridinyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 35028668
N-(3,5-dimethylphenyl)-4-piperidin-1-ylsulfonylbenzamide
CID 2710141
4-(azepan-1-ylsulfonyl)-N-(3-methylphenyl)benzamide
CID 71904572
1-(4-tert-butylphenyl)sulfonyl-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 35028092
N-(4-methyl-2-pyridinyl)-4-propan-2-ylsulfonylbenzamide
CID 46489941
1-N,4-N-bis[4-(azepan-1-ylsulfonyl)phenyl]benzene-1,4-dicarboxamide
CID 5167539
4-(azepan-1-ylsulfonyl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 2701476
4-(azepan-1-ylsulfonyl)-N-(3,4-dimethylphenyl)benzamide
CID 2600312
N-(4-methyl-2-pyridinyl)-4-(prop-2-ynylsulfamoyl)benzamide
CID 51298176
3-(azepan-1-ylsulfonyl)-N-(4-bromo-2-pyridinyl)benzamide
CID 90342568
4-pyrrolidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 26252425

Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-ylsulfonyl)-N-(4-methyl-2-pyridinyl)benzamide?
The IUPAC name of 4-(azepan-1-ylsulfonyl)-N-(4-methyl-2-pyridinyl)benzamide (CID 2147569) is 4-(azepan-1-ylsulfonyl)-N-(4-methyl-2-pyridinyl)benzamide.
What is the SMILES notation for 4-(azepan-1-ylsulfonyl)-N-(4-methyl-2-pyridinyl)benzamide?
The canonical SMILES for 4-(azepan-1-ylsulfonyl)-N-(4-methyl-2-pyridinyl)benzamide is Cc1ccnc(NC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1.
What is the InChIKey of 4-(azepan-1-ylsulfonyl)-N-(4-methyl-2-pyridinyl)benzamide?
The InChIKey is FZFYMXBXXYJYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-15-10-11-20-18(14-15)21-19(23)16-6-8-17(9-7-16)26(24,25)22-12-4-2-3-5-13-22/h6-11,14H,2-5,12-13H2,1H3,(H,20,21,23).
What are the key properties of 4-(azepan-1-ylsulfonyl)-N-(4-methyl-2-pyridinyl)benzamide?
4-(azepan-1-ylsulfonyl)-N-(4-methyl-2-pyridinyl)benzamide has a molecular weight of 373.48 g/mol, XLogP of 3.21, 4 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-(4-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 2147569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).