2-[3-(azepan-1-ylsulfonyl)anilino]-N-(5-chloro-2-pyridinyl)acetamide

C19H23ClN4O3S — CID 78782231

IUPAC2-[3-(azepan-1-ylsulfonyl)anilino]-N-(5-chloro-2-pyridinyl)acetamide
SMILESO=C(CNc1cccc(S(=O)(=O)N2CCCCCC2)c1)Nc1ccc(Cl)cn1
InChIInChI=1S/C19H23ClN4O3S/c20-15-8-9-18(22-13-15)23-19(25)14-21-16-6-5-7-17(12-16)28(26,27)24-10-3-1-2-4-11-24/h5-9,12-13,21H,1-4,10-11,14H2,(H,22,23,25)
InChIKeyYJIJPBMGNMLDDL-UHFFFAOYSA-N
MW422.94 g/mol
LogP3.35
Rot. Bonds6

About 2-[3-(azepan-1-ylsulfonyl)anilino]-N-(5-chloro-2-pyridinyl)acetamide

2-[3-(azepan-1-ylsulfonyl)anilino]-N-(5-chloro-2-pyridinyl)acetamide (PubChem CID 78782231) has the molecular formula C19H23ClN4O3S and a molecular weight of 422.94 g/mol. Its IUPAC name is 2-[3-(azepan-1-ylsulfonyl)anilino]-N-(5-chloro-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[3-(azepan-1-ylsulfonyl)anilino]-N-(5-chloro-2-pyridinyl)acetamide
PubChem CID78782231
Molecular FormulaC19H23ClN4O3S
Molecular Weight422.94 g/mol
Exact Mass422.12
IUPAC Name2-[3-(azepan-1-ylsulfonyl)anilino]-N-(5-chloro-2-pyridinyl)acetamide
SMILESO=C(CNc1cccc(S(=O)(=O)N2CCCCCC2)c1)Nc1ccc(Cl)cn1
InChIInChI=1S/C19H23ClN4O3S/c20-15-8-9-18(22-13-15)23-19(25)14-21-16-6-5-7-17(12-16)28(26,27)24-10-3-1-2-4-11-24/h5-9,12-13,21H,1-4,10-11,14H2,(H,22,23,25)
InChIKeyYJIJPBMGNMLDDL-UHFFFAOYSA-N
XLogP3.35
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.94
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide
CID 9083457
N-(5-chloro-2-pyridinyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 51188709
2-(2-chloroanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 9098739
N-(2-acetylphenyl)-2-[3-(azepan-1-ylsulfonyl)anilino]acetamide
CID 16553147
N-(4-ethylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide
CID 9083492
N-[3-(dimethylsulfamoyl)phenyl]-2-(3-piperidin-1-ylsulfonylanilino)acetamide
CID 16553103
N-(3-ethylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide
CID 42996600
N-(3-cyanophenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide
CID 9083464
N-(3-chloro-4-cyanophenyl)-2-(3-pyrrolidin-1-ylsulfonylanilino)acetamide
CID 9083877
3-(4-chlorophenyl)-N-(3-piperidin-1-ylsulfonylphenyl)propanamide
CID 41484446
N-(2-methoxy-5-methylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide
CID 9083438
2-(cyclooctylamino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 9265434

Frequently Asked Questions

What is the IUPAC name of 2-[3-(azepan-1-ylsulfonyl)anilino]-N-(5-chloro-2-pyridinyl)acetamide?
The IUPAC name of 2-[3-(azepan-1-ylsulfonyl)anilino]-N-(5-chloro-2-pyridinyl)acetamide (CID 78782231) is 2-[3-(azepan-1-ylsulfonyl)anilino]-N-(5-chloro-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[3-(azepan-1-ylsulfonyl)anilino]-N-(5-chloro-2-pyridinyl)acetamide?
The canonical SMILES for 2-[3-(azepan-1-ylsulfonyl)anilino]-N-(5-chloro-2-pyridinyl)acetamide is O=C(CNc1cccc(S(=O)(=O)N2CCCCCC2)c1)Nc1ccc(Cl)cn1.
What is the InChIKey of 2-[3-(azepan-1-ylsulfonyl)anilino]-N-(5-chloro-2-pyridinyl)acetamide?
The InChIKey is YJIJPBMGNMLDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O3S/c20-15-8-9-18(22-13-15)23-19(25)14-21-16-6-5-7-17(12-16)28(26,27)24-10-3-1-2-4-11-24/h5-9,12-13,21H,1-4,10-11,14H2,(H,22,23,25).
What are the key properties of 2-[3-(azepan-1-ylsulfonyl)anilino]-N-(5-chloro-2-pyridinyl)acetamide?
2-[3-(azepan-1-ylsulfonyl)anilino]-N-(5-chloro-2-pyridinyl)acetamide has a molecular weight of 422.94 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(azepan-1-ylsulfonyl)anilino]-N-(5-chloro-2-pyridinyl)acetamide is sourced from PubChem (CID 78782231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).