4,5-dichloro-2-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide

C14H19Cl2NO2S — CID 39116281

IUPAC4,5-dichloro-2-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide
SMILESCc1cc(Cl)c(Cl)cc1S(=O)(=O)N[C@H]1CCCC[C@@H]1C
InChIInChI=1S/C14H19Cl2NO2S/c1-9-5-3-4-6-13(9)17-20(18,19)14-8-12(16)11(15)7-10(14)2/h7-9,13,17H,3-6H2,1-2H3/t9-,13-/m0/s1
InChIKeyOWPVLYVOZVKXNW-ZANVPECISA-N
MW336.28 g/mol
LogP4.16
Rot. Bonds3

About 4,5-dichloro-2-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide

4,5-dichloro-2-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide (PubChem CID 39116281) has the molecular formula C14H19Cl2NO2S and a molecular weight of 336.28 g/mol. Its IUPAC name is 4,5-dichloro-2-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name4,5-dichloro-2-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide
PubChem CID39116281
Molecular FormulaC14H19Cl2NO2S
Molecular Weight336.28 g/mol
Exact Mass335.05
IUPAC Name4,5-dichloro-2-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide
SMILESCc1cc(Cl)c(Cl)cc1S(=O)(=O)N[C@H]1CCCC[C@@H]1C
InChIInChI=1S/C14H19Cl2NO2S/c1-9-5-3-4-6-13(9)17-20(18,19)14-8-12(16)11(15)7-10(14)2/h7-9,13,17H,3-6H2,1-2H3/t9-,13-/m0/s1
InChIKeyOWPVLYVOZVKXNW-ZANVPECISA-N
XLogP4.16
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.28
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4,5-trichloro-N-(2-methylcyclohexyl)benzenesulfonamide
CID 19681997
2,5-dibromo-4-methyl-N-(2-methylcycloheptyl)benzenesulfonamide
CID 81435568
4-bromo-2-chloro-N-(2-methylcyclohexyl)benzenesulfonamide
CID 60640100
5-chloro-4-methyl-N-[(1R,2R)-2-methylcyclohexyl]-2-propoxybenzenesulfonamide
CID 124680601
2-methoxy-4,5-dimethyl-N-(2-methylcyclohexyl)benzenesulfonamide
CID 2984852
4-amino-2-methyl-N-(2-methylcyclopentyl)benzenesulfonamide
CID 55172811
2,4-dimethyl-5-(methylaminomethyl)-N-(2-methylcyclopentyl)benzenesulfonamide
CID 106064380
5-amino-3-chloro-2-fluoro-N-(2-methylcyclohexyl)benzenesulfonamide
CID 43257648
4-amino-2,6-dichloro-N-(2-methylcyclohexyl)benzenesulfonamide
CID 43257649
4-chloro-N-[(1R,2S)-2-methylcyclohexyl]naphthalene-1-sulfonamide
CID 39116315
2-methyl-N-[(1S,2R)-2-methylcyclohexyl]-5-nitrobenzenesulfonamide
CID 7798978
4-amino-2,6-dimethyl-N-(2-methylcyclohexyl)benzenesulfonamide
CID 79588504

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide?
The IUPAC name of 4,5-dichloro-2-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide (CID 39116281) is 4,5-dichloro-2-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide.
What is the SMILES notation for 4,5-dichloro-2-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide?
The canonical SMILES for 4,5-dichloro-2-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide is Cc1cc(Cl)c(Cl)cc1S(=O)(=O)N[C@H]1CCCC[C@@H]1C.
What is the InChIKey of 4,5-dichloro-2-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide?
The InChIKey is OWPVLYVOZVKXNW-ZANVPECISA-N. The full InChI is InChI=1S/C14H19Cl2NO2S/c1-9-5-3-4-6-13(9)17-20(18,19)14-8-12(16)11(15)7-10(14)2/h7-9,13,17H,3-6H2,1-2H3/t9-,13-/m0/s1.
What are the key properties of 4,5-dichloro-2-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide?
4,5-dichloro-2-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide has a molecular weight of 336.28 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide is sourced from PubChem (CID 39116281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).