4-chloro-3-(3-methylpiperidin-1-yl)sulfonyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide

C17H21ClN4O3S — CID 60518959

IUPAC4-chloro-3-(3-methylpiperidin-1-yl)sulfonyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide
SMILESCc1cc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC(C)C3)c2)n[nH]1
InChIInChI=1S/C17H21ClN4O3S/c1-11-4-3-7-22(10-11)26(24,25)15-9-13(5-6-14(15)18)17(23)19-16-8-12(2)20-21-16/h5-6,8-9,11H,3-4,7,10H2,1-2H3,(H2,19,20,21,23)
InChIKeyBVZDXHDIOJQEFR-UHFFFAOYSA-N
MW396.90 g/mol
LogP3.04
Rot. Bonds4

About 4-chloro-3-(3-methylpiperidin-1-yl)sulfonyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide

4-chloro-3-(3-methylpiperidin-1-yl)sulfonyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide (PubChem CID 60518959) has the molecular formula C17H21ClN4O3S and a molecular weight of 396.90 g/mol. Its IUPAC name is 4-chloro-3-(3-methylpiperidin-1-yl)sulfonyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide.

Molecular Properties

Compound Name4-chloro-3-(3-methylpiperidin-1-yl)sulfonyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide
PubChem CID60518959
Molecular FormulaC17H21ClN4O3S
Molecular Weight396.90 g/mol
Exact Mass396.10
IUPAC Name4-chloro-3-(3-methylpiperidin-1-yl)sulfonyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide
SMILESCc1cc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC(C)C3)c2)n[nH]1
InChIInChI=1S/C17H21ClN4O3S/c1-11-4-3-7-22(10-11)26(24,25)15-9-13(5-6-14(15)18)17(23)19-16-8-12(2)20-21-16/h5-6,8-9,11H,3-4,7,10H2,1-2H3,(H2,19,20,21,23)
InChIKeyBVZDXHDIOJQEFR-UHFFFAOYSA-N
XLogP3.04
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.90
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(2,3-dimethylphenyl)-3-(3-methylpiperidin-1-yl)sulfonylbenzamide
CID 42992443
4-chloro-N-(2,4-difluorophenyl)-3-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzamide
CID 26359533
4-chloro-N-(cyclopentylmethyl)-3-(3-methylpiperidin-1-yl)sulfonylbenzamide
CID 55612530
4-chloro-N-(2-methylbutan-2-yl)-3-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzamide
CID 40820715
4-chloro-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-3-(3-methylpiperidin-1-yl)sulfonylbenzamide
CID 42945084
N-(4-bromo-2-fluorophenyl)-4-chloro-3-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzamide
CID 41080630
4-chloro-N-(2-methyl-3-nitrophenyl)-3-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzamide
CID 26796754
4-chloro-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(3-methylpiperidin-1-yl)sulfonylbenzamide
CID 43061200
4-chloro-N-[3-(1,3-dithiolan-2-yl)phenyl]-3-(3-methylpiperidin-1-yl)sulfonylbenzamide
CID 55387937
4-chloro-3-[(3R)-3-methylpiperidin-1-yl]sulfonyl-N-[2-(prop-2-ynylcarbamoyl)phenyl]benzamide
CID 51960183
4-chloro-3-(3-methylpiperidin-1-yl)sulfonyl-N-[3-oxo-3-(propylamino)propyl]benzamide
CID 55953958
[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 4-chloro-3-(3-methylpiperidin-1-yl)sulfonylbenzoate
CID 16592158

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(3-methylpiperidin-1-yl)sulfonyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide?
The IUPAC name of 4-chloro-3-(3-methylpiperidin-1-yl)sulfonyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide (CID 60518959) is 4-chloro-3-(3-methylpiperidin-1-yl)sulfonyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide.
What is the SMILES notation for 4-chloro-3-(3-methylpiperidin-1-yl)sulfonyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide?
The canonical SMILES for 4-chloro-3-(3-methylpiperidin-1-yl)sulfonyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide is Cc1cc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC(C)C3)c2)n[nH]1.
What is the InChIKey of 4-chloro-3-(3-methylpiperidin-1-yl)sulfonyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide?
The InChIKey is BVZDXHDIOJQEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O3S/c1-11-4-3-7-22(10-11)26(24,25)15-9-13(5-6-14(15)18)17(23)19-16-8-12(2)20-21-16/h5-6,8-9,11H,3-4,7,10H2,1-2H3,(H2,19,20,21,23).
What are the key properties of 4-chloro-3-(3-methylpiperidin-1-yl)sulfonyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide?
4-chloro-3-(3-methylpiperidin-1-yl)sulfonyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide has a molecular weight of 396.90 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(3-methylpiperidin-1-yl)sulfonyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide is sourced from PubChem (CID 60518959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).