2-chloro-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide

C19H21ClN2O3S — CID 17311381

IUPAC2-chloro-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide
SMILESCC1CCCN(S(=O)(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)C1
InChIInChI=1S/C19H21ClN2O3S/c1-14-5-4-12-22(13-14)26(24,25)16-10-8-15(9-11-16)21-19(23)17-6-2-3-7-18(17)20/h2-3,6-11,14H,4-5,12-13H2,1H3,(H,21,23)
InChIKeyKUUMGUNLJRYKDI-UHFFFAOYSA-N
MW392.91 g/mol
LogP4.01
Rot. Bonds4

About 2-chloro-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide

2-chloro-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide (PubChem CID 17311381) has the molecular formula C19H21ClN2O3S and a molecular weight of 392.91 g/mol. Its IUPAC name is 2-chloro-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide
PubChem CID17311381
Molecular FormulaC19H21ClN2O3S
Molecular Weight392.91 g/mol
Exact Mass392.10
IUPAC Name2-chloro-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide
SMILESCC1CCCN(S(=O)(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)C1
InChIInChI=1S/C19H21ClN2O3S/c1-14-5-4-12-22(13-14)26(24,25)16-10-8-15(9-11-16)21-19(23)17-6-2-3-7-18(17)20/h2-3,6-11,14H,4-5,12-13H2,1H3,(H,21,23)
InChIKeyKUUMGUNLJRYKDI-UHFFFAOYSA-N
XLogP4.01
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.91
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 743584
N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 743581
(E)-3-(2-chlorophenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]prop-2-enamide
CID 17311807
2-methyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-3-nitrobenzamide
CID 17311394
N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]quinoline-2-carboxamide
CID 42998438
N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 41417441
1-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]sulfonylazepane
CID 3184670
(3S)-3-acetamido-3-(2-chlorophenyl)-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]propanamide
CID 51724159
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methylbenzamide
CID 1010223
4-methoxy-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 17311372
4-(3-methylpiperidin-1-yl)sulfonyl-N-(4-methylsulfanylphenyl)benzamide
CID 16811498
3,5-dimethoxy-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 17311561

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide?
The IUPAC name of 2-chloro-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide (CID 17311381) is 2-chloro-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide?
The canonical SMILES for 2-chloro-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide is CC1CCCN(S(=O)(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)C1.
What is the InChIKey of 2-chloro-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide?
The InChIKey is KUUMGUNLJRYKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3S/c1-14-5-4-12-22(13-14)26(24,25)16-10-8-15(9-11-16)21-19(23)17-6-2-3-7-18(17)20/h2-3,6-11,14H,4-5,12-13H2,1H3,(H,21,23).
What are the key properties of 2-chloro-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide?
2-chloro-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide has a molecular weight of 392.91 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide is sourced from PubChem (CID 17311381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).