2-chloro-5-(2-methylpiperidine-1-carbonyl)benzenesulfonamide

C13H17ClN2O3S — CID 60637659

IUPAC2-chloro-5-(2-methylpiperidine-1-carbonyl)benzenesulfonamide
SMILESCC1CCCCN1C(=O)c1ccc(Cl)c(S(N)(=O)=O)c1
InChIInChI=1S/C13H17ClN2O3S/c1-9-4-2-3-7-16(9)13(17)10-5-6-11(14)12(8-10)20(15,18)19/h5-6,8-9H,2-4,7H2,1H3,(H2,15,18,19)
InChIKeyZABOAIIZWIGDRJ-UHFFFAOYSA-N
MW316.81 g/mol
LogP2.00
Rot. Bonds2

About 2-chloro-5-(2-methylpiperidine-1-carbonyl)benzenesulfonamide

2-chloro-5-(2-methylpiperidine-1-carbonyl)benzenesulfonamide (PubChem CID 60637659) has the molecular formula C13H17ClN2O3S and a molecular weight of 316.81 g/mol. Its IUPAC name is 2-chloro-5-(2-methylpiperidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-(2-methylpiperidine-1-carbonyl)benzenesulfonamide
PubChem CID60637659
Molecular FormulaC13H17ClN2O3S
Molecular Weight316.81 g/mol
Exact Mass316.06
IUPAC Name2-chloro-5-(2-methylpiperidine-1-carbonyl)benzenesulfonamide
SMILESCC1CCCCN1C(=O)c1ccc(Cl)c(S(N)(=O)=O)c1
InChIInChI=1S/C13H17ClN2O3S/c1-9-4-2-3-7-16(9)13(17)10-5-6-11(14)12(8-10)20(15,18)19/h5-6,8-9H,2-4,7H2,1H3,(H2,15,18,19)
InChIKeyZABOAIIZWIGDRJ-UHFFFAOYSA-N
XLogP2.00
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.81
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-(2,4-dimethylpiperidine-1-carbonyl)benzenesulfonamide
CID 65387685
(4-chloro-3-morpholin-4-ylsulfonylphenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 7719605
(3-bromo-4-chlorophenyl)-(2-methylpiperidin-1-yl)methanone
CID 103841523
(3-chloro-4-iodophenyl)-(2-methylpiperidin-1-yl)methanone
CID 103734678
4-chloro-3-(2-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 65376127
[(2S)-2-methylpiperidin-1-yl]-(3,4,5-trichlorophenyl)methanone
CID 94861975
(4-tert-butyl-3-chlorophenyl)-(2-methylpyrrolidin-1-yl)methanone
CID 142238320
[3,5-dichloro-4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 94071084
(4-chloro-3-piperidin-1-ylsulfonylphenyl)-(2-cyclohexylpyrrolidin-1-yl)methanone
CID 47063019
5-(2,3-dimethylpiperidine-1-carbonyl)-2-methylbenzenesulfonamide
CID 65386146
(4-aminophenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 713107
N-(5-chloro-2,4-dimethoxyphenyl)-2-methoxy-5-(2-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 42910845

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(2-methylpiperidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of 2-chloro-5-(2-methylpiperidine-1-carbonyl)benzenesulfonamide (CID 60637659) is 2-chloro-5-(2-methylpiperidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-5-(2-methylpiperidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-5-(2-methylpiperidine-1-carbonyl)benzenesulfonamide is CC1CCCCN1C(=O)c1ccc(Cl)c(S(N)(=O)=O)c1.
What is the InChIKey of 2-chloro-5-(2-methylpiperidine-1-carbonyl)benzenesulfonamide?
The InChIKey is ZABOAIIZWIGDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3S/c1-9-4-2-3-7-16(9)13(17)10-5-6-11(14)12(8-10)20(15,18)19/h5-6,8-9H,2-4,7H2,1H3,(H2,15,18,19).
What are the key properties of 2-chloro-5-(2-methylpiperidine-1-carbonyl)benzenesulfonamide?
2-chloro-5-(2-methylpiperidine-1-carbonyl)benzenesulfonamide has a molecular weight of 316.81 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(2-methylpiperidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 60637659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).