3,4-dichloro-N-(1-methylsulfonylpiperidin-4-yl)benzenesulfonamide

C12H16Cl2N2O4S2 — CID 55572265

IUPAC3,4-dichloro-N-(1-methylsulfonylpiperidin-4-yl)benzenesulfonamide
SMILESCS(=O)(=O)N1CCC(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C12H16Cl2N2O4S2/c1-21(17,18)16-6-4-9(5-7-16)15-22(19,20)10-2-3-11(13)12(14)8-10/h2-3,8-9,15H,4-7H2,1H3
InChIKeyIRIBIEQQSDMJFA-UHFFFAOYSA-N
MW387.31 g/mol
LogP1.70
Rot. Bonds4

About 3,4-dichloro-N-(1-methylsulfonylpiperidin-4-yl)benzenesulfonamide

3,4-dichloro-N-(1-methylsulfonylpiperidin-4-yl)benzenesulfonamide (PubChem CID 55572265) has the molecular formula C12H16Cl2N2O4S2 and a molecular weight of 387.31 g/mol. Its IUPAC name is 3,4-dichloro-N-(1-methylsulfonylpiperidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-(1-methylsulfonylpiperidin-4-yl)benzenesulfonamide
PubChem CID55572265
Molecular FormulaC12H16Cl2N2O4S2
Molecular Weight387.31 g/mol
Exact Mass385.99
IUPAC Name3,4-dichloro-N-(1-methylsulfonylpiperidin-4-yl)benzenesulfonamide
SMILESCS(=O)(=O)N1CCC(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C12H16Cl2N2O4S2/c1-21(17,18)16-6-4-9(5-7-16)15-22(19,20)10-2-3-11(13)12(14)8-10/h2-3,8-9,15H,4-7H2,1H3
InChIKeyIRIBIEQQSDMJFA-UHFFFAOYSA-N
XLogP1.70
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.31
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dichloro-N-(oxan-4-yl)benzenesulfonamide
CID 110726881
3,4-dichloro-N-piperidin-4-ylbenzenesulfonamide
CID 28810999
4-ethyl-N-(1-methylsulfonylpiperidin-4-yl)benzenesulfonamide
CID 110714982
1-(3,4-dichlorophenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride
CID 119980298
3-chloro-4-methyl-N-(oxan-4-yl)benzenesulfonamide
CID 110726898
4-fluoro-N-(1-methylsulfonylpyrrolidin-3-yl)benzenesulfonamide
CID 110871302
N-(1-methylsulfonylpyrrolidin-3-yl)-1,3-benzodioxole-5-sulfonamide
CID 110871310
3,4-dichloro-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 110719783
3,4-dichloro-N-[1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]benzenesulfonamide
CID 25042420
5-amino-N-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazole-4-sulfonamide
CID 60810285
2-chloro-5-[(4-methylcyclohexyl)sulfamoyl]benzoic acid
CID 43082280
4-amino-3-chloro-N-(4,4-dimethylcyclohexyl)benzenesulfonamide
CID 115330142

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(1-methylsulfonylpiperidin-4-yl)benzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-(1-methylsulfonylpiperidin-4-yl)benzenesulfonamide (CID 55572265) is 3,4-dichloro-N-(1-methylsulfonylpiperidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-(1-methylsulfonylpiperidin-4-yl)benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-(1-methylsulfonylpiperidin-4-yl)benzenesulfonamide is CS(=O)(=O)N1CCC(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 3,4-dichloro-N-(1-methylsulfonylpiperidin-4-yl)benzenesulfonamide?
The InChIKey is IRIBIEQQSDMJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O4S2/c1-21(17,18)16-6-4-9(5-7-16)15-22(19,20)10-2-3-11(13)12(14)8-10/h2-3,8-9,15H,4-7H2,1H3.
What are the key properties of 3,4-dichloro-N-(1-methylsulfonylpiperidin-4-yl)benzenesulfonamide?
3,4-dichloro-N-(1-methylsulfonylpiperidin-4-yl)benzenesulfonamide has a molecular weight of 387.31 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(1-methylsulfonylpiperidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 55572265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).