4-chloro-3-(2-methylpiperidine-1-carbonyl)benzenesulfonamide

C13H17ClN2O3S — CID 65376127

IUPAC4-chloro-3-(2-methylpiperidine-1-carbonyl)benzenesulfonamide
SMILESCC1CCCCN1C(=O)c1cc(S(N)(=O)=O)ccc1Cl
InChIInChI=1S/C13H17ClN2O3S/c1-9-4-2-3-7-16(9)13(17)11-8-10(20(15,18)19)5-6-12(11)14/h5-6,8-9H,2-4,7H2,1H3,(H2,15,18,19)
InChIKeyIJSUZFDFADHVTA-UHFFFAOYSA-N
MW316.81 g/mol
LogP2.00
Rot. Bonds2

About 4-chloro-3-(2-methylpiperidine-1-carbonyl)benzenesulfonamide

4-chloro-3-(2-methylpiperidine-1-carbonyl)benzenesulfonamide (PubChem CID 65376127) has the molecular formula C13H17ClN2O3S and a molecular weight of 316.81 g/mol. Its IUPAC name is 4-chloro-3-(2-methylpiperidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-3-(2-methylpiperidine-1-carbonyl)benzenesulfonamide
PubChem CID65376127
Molecular FormulaC13H17ClN2O3S
Molecular Weight316.81 g/mol
Exact Mass316.06
IUPAC Name4-chloro-3-(2-methylpiperidine-1-carbonyl)benzenesulfonamide
SMILESCC1CCCCN1C(=O)c1cc(S(N)(=O)=O)ccc1Cl
InChIInChI=1S/C13H17ClN2O3S/c1-9-4-2-3-7-16(9)13(17)11-8-10(20(15,18)19)5-6-12(11)14/h5-6,8-9H,2-4,7H2,1H3,(H2,15,18,19)
InChIKeyIJSUZFDFADHVTA-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

4-chloro-N-methyl-3-(2-methylpiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 55331996
2-chloro-5-(2-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 60637659
4-bromo-3-(2-methylazepane-1-carbonyl)benzenesulfonyl chloride
CID 65397267
3-(2,3-dimethylpiperidine-1-carbonyl)-4-methylbenzenesulfonamide
CID 62124684
(4-chloro-2-hydroxyphenyl)-(2-methylpiperidin-1-yl)methanone
CID 43176497
4-chloro-3-(2,3-dimethylpiperidine-1-carbonyl)benzenesulfonyl chloride
CID 65397198
(4-amino-2-chlorophenyl)-(2-methylpyrrolidin-1-yl)methanone;hydrochloride
CID 119781055
(3-bromo-4-chlorophenyl)-(2-methylpiperidin-1-yl)methanone
CID 103841523
5-(2-methylazepane-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 65389074
2,5-dichloro-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 65388192
(2-hydroxyphenyl)-(2-methylpiperidin-1-yl)methanone
CID 43186537
2-chloro-5,6-difluoro-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 65388382

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(2-methylpiperidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of 4-chloro-3-(2-methylpiperidine-1-carbonyl)benzenesulfonamide (CID 65376127) is 4-chloro-3-(2-methylpiperidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-3-(2-methylpiperidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-3-(2-methylpiperidine-1-carbonyl)benzenesulfonamide is CC1CCCCN1C(=O)c1cc(S(N)(=O)=O)ccc1Cl.
What is the InChIKey of 4-chloro-3-(2-methylpiperidine-1-carbonyl)benzenesulfonamide?
The InChIKey is IJSUZFDFADHVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3S/c1-9-4-2-3-7-16(9)13(17)11-8-10(20(15,18)19)5-6-12(11)14/h5-6,8-9H,2-4,7H2,1H3,(H2,15,18,19).
What are the key properties of 4-chloro-3-(2-methylpiperidine-1-carbonyl)benzenesulfonamide?
4-chloro-3-(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 4-chloro-3-(2-methylpiperidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 65376127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).