2,5-dichloro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide

C13H18Cl2N2O2S — CID 79111068

IUPAC2,5-dichloro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
SMILESCNC1CCC(NS(=O)(=O)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C13H18Cl2N2O2S/c1-16-10-3-5-11(6-4-10)17-20(18,19)13-8-9(14)2-7-12(13)15/h2,7-8,10-11,16-17H,3-6H2,1H3
InChIKeyYXODHPWPNNDUJI-UHFFFAOYSA-N
MW337.27 g/mol
LogP2.80
Rot. Bonds4

About 2,5-dichloro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide

2,5-dichloro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide (PubChem CID 79111068) has the molecular formula C13H18Cl2N2O2S and a molecular weight of 337.27 g/mol. Its IUPAC name is 2,5-dichloro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
PubChem CID79111068
Molecular FormulaC13H18Cl2N2O2S
Molecular Weight337.27 g/mol
Exact Mass336.05
IUPAC Name2,5-dichloro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
SMILESCNC1CCC(NS(=O)(=O)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C13H18Cl2N2O2S/c1-16-10-3-5-11(6-4-10)17-20(18,19)13-8-9(14)2-7-12(13)15/h2,7-8,10-11,16-17H,3-6H2,1H3
InChIKeyYXODHPWPNNDUJI-UHFFFAOYSA-N
XLogP2.80
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.27
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dichloro-N-methyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 79118129
1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidin-4-amine
CID 119979920
5-chloro-N-cyclopentyl-2-fluorobenzenesulfonamide
CID 110759330
2,5-dichloro-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide
CID 90597536
methyl 4-chloro-3-(cyclopropylsulfamoyl)benzoate
CID 32917957
2,3,4-trifluoro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 79118102
2,5-dichloro-N-(2,5-dichlorophenyl)sulfonylbenzenesulfonamide
CID 121010955
4-chloro-3-(cyclopropylsulfamoyl)benzenecarbothioamide
CID 80704050
2-fluoro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 43653542
3,5-dichloro-N-cyclopropyl-2-methoxybenzenesulfonamide
CID 110758530
N-(4-aminocyclohexyl)-4-chloro-2-methylbenzenesulfonamide;hydrochloride
CID 119970980
N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2,5-dichlorobenzenesulfonamide
CID 6980060

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide (CID 79111068) is 2,5-dichloro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide is CNC1CCC(NS(=O)(=O)c2cc(Cl)ccc2Cl)CC1.
What is the InChIKey of 2,5-dichloro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide?
The InChIKey is YXODHPWPNNDUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O2S/c1-16-10-3-5-11(6-4-10)17-20(18,19)13-8-9(14)2-7-12(13)15/h2,7-8,10-11,16-17H,3-6H2,1H3.
What are the key properties of 2,5-dichloro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide?
2,5-dichloro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide has a molecular weight of 337.27 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 79111068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).