3-chloro-4-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide

C13H19ClN2O2S — CID 120725299

IUPAC3-chloro-4-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCNCC2C)cc1Cl
InChIInChI=1S/C13H19ClN2O2S/c1-9-3-4-11(7-12(9)14)19(17,18)16-13-5-6-15-8-10(13)2/h3-4,7,10,13,15-16H,5-6,8H2,1-2H3
InChIKeyYUWVMDMQVDLGGB-UHFFFAOYSA-N
MW302.83 g/mol
LogP1.92
Rot. Bonds3

About 3-chloro-4-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide

3-chloro-4-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide (PubChem CID 120725299) has the molecular formula C13H19ClN2O2S and a molecular weight of 302.83 g/mol. Its IUPAC name is 3-chloro-4-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide
PubChem CID120725299
Molecular FormulaC13H19ClN2O2S
Molecular Weight302.83 g/mol
Exact Mass302.09
IUPAC Name3-chloro-4-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCNCC2C)cc1Cl
InChIInChI=1S/C13H19ClN2O2S/c1-9-3-4-11(7-12(9)14)19(17,18)16-13-5-6-15-8-10(13)2/h3-4,7,10,13,15-16H,5-6,8H2,1-2H3
InChIKeyYUWVMDMQVDLGGB-UHFFFAOYSA-N
XLogP1.92
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.83
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-chloro-4-[(3-methylpiperidin-4-yl)sulfamoyl]benzoate
CID 120724810
5-chloro-2-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide
CID 120725193
4-methoxy-3-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120725010
3,4-dichloro-N-(4-methylpiperidin-3-yl)benzenesulfonamide
CID 120722990
3-methyl-N-(3-methylpiperidin-4-yl)-4-propan-2-yloxybenzenesulfonamide;hydrochloride
CID 120724685
N-[(3R,4S)-3-methylpiperidin-4-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 124516960
N-(3-methylpiperidin-4-yl)-4-phenylbenzenesulfonamide
CID 120724798
4-tert-butyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120725276
4-methoxy-3,5-dimethyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120725107
5-chloro-N-(3-methylpiperidin-4-yl)pyridine-3-sulfonamide
CID 120725117
4-bromo-3-methoxy-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120724741
3-ethyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide
CID 120724850

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide?
The IUPAC name of 3-chloro-4-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide (CID 120725299) is 3-chloro-4-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide?
The canonical SMILES for 3-chloro-4-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NC2CCNCC2C)cc1Cl.
What is the InChIKey of 3-chloro-4-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide?
The InChIKey is YUWVMDMQVDLGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2S/c1-9-3-4-11(7-12(9)14)19(17,18)16-13-5-6-15-8-10(13)2/h3-4,7,10,13,15-16H,5-6,8H2,1-2H3.
What are the key properties of 3-chloro-4-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide?
3-chloro-4-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide has a molecular weight of 302.83 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 120725299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).