3,4-dichloro-N-(4-methylpiperidin-3-yl)benzenesulfonamide

C12H16Cl2N2O2S — CID 120722990

IUPAC3,4-dichloro-N-(4-methylpiperidin-3-yl)benzenesulfonamide
SMILESCC1CCNCC1NS(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H16Cl2N2O2S/c1-8-4-5-15-7-12(8)16-19(17,18)9-2-3-10(13)11(14)6-9/h2-3,6,8,12,15-16H,4-5,7H2,1H3
InChIKeyBPMNSDYBIYCMJD-UHFFFAOYSA-N
MW323.25 g/mol
LogP2.27
Rot. Bonds3

About 3,4-dichloro-N-(4-methylpiperidin-3-yl)benzenesulfonamide

3,4-dichloro-N-(4-methylpiperidin-3-yl)benzenesulfonamide (PubChem CID 120722990) has the molecular formula C12H16Cl2N2O2S and a molecular weight of 323.25 g/mol. Its IUPAC name is 3,4-dichloro-N-(4-methylpiperidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-(4-methylpiperidin-3-yl)benzenesulfonamide
PubChem CID120722990
Molecular FormulaC12H16Cl2N2O2S
Molecular Weight323.25 g/mol
Exact Mass322.03
IUPAC Name3,4-dichloro-N-(4-methylpiperidin-3-yl)benzenesulfonamide
SMILESCC1CCNCC1NS(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H16Cl2N2O2S/c1-8-4-5-15-7-12(8)16-19(17,18)9-2-3-10(13)11(14)6-9/h2-3,6,8,12,15-16H,4-5,7H2,1H3
InChIKeyBPMNSDYBIYCMJD-UHFFFAOYSA-N
XLogP2.27
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.25
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide
CID 120725299
3-methyl-N-(4-methylpiperidin-3-yl)benzenesulfonamide
CID 55202262
7-chloro-2-methyl-N-(4-methylpiperidin-3-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 120722741
3,4-dichloro-N-piperidin-4-ylbenzenesulfonamide
CID 28810999
3-fluoro-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120722663
N-[2-bromo-4-[(4-methylpiperidin-3-yl)sulfamoyl]phenyl]acetamide
CID 120723238
3-fluoro-N-(4-methylpiperidin-3-yl)-4-methylsulfonylbenzenesulfonamide;hydrochloride
CID 120722763
N-(4-methylpiperidin-3-yl)-4-phenylbenzenesulfonamide;hydrochloride
CID 120722805
N-(4-methylpiperidin-3-yl)-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 120722916
3-cyano-4-fluoro-N-(4-methylpiperidin-3-yl)benzenesulfonamide
CID 120722842
N-[2-bromo-4-[(4-methylpiperidin-3-yl)sulfamoyl]phenyl]acetamide;hydrochloride
CID 120723237
methyl 2-chloro-4-[(3-methylpiperidin-4-yl)sulfamoyl]benzoate
CID 120724810

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(4-methylpiperidin-3-yl)benzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-(4-methylpiperidin-3-yl)benzenesulfonamide (CID 120722990) is 3,4-dichloro-N-(4-methylpiperidin-3-yl)benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-(4-methylpiperidin-3-yl)benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-(4-methylpiperidin-3-yl)benzenesulfonamide is CC1CCNCC1NS(=O)(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-(4-methylpiperidin-3-yl)benzenesulfonamide?
The InChIKey is BPMNSDYBIYCMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O2S/c1-8-4-5-15-7-12(8)16-19(17,18)9-2-3-10(13)11(14)6-9/h2-3,6,8,12,15-16H,4-5,7H2,1H3.
What are the key properties of 3,4-dichloro-N-(4-methylpiperidin-3-yl)benzenesulfonamide?
3,4-dichloro-N-(4-methylpiperidin-3-yl)benzenesulfonamide has a molecular weight of 323.25 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(4-methylpiperidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 120722990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).