5-chloro-4-methyl-N-[(1R,2R)-2-methylcyclohexyl]-2-propoxybenzenesulfonamide

C17H26ClNO3S — CID 124680601

IUPAC5-chloro-4-methyl-N-[(1R,2R)-2-methylcyclohexyl]-2-propoxybenzenesulfonamide
SMILESCCCOc1cc(C)c(Cl)cc1S(=O)(=O)N[C@@H]1CCCC[C@H]1C
InChIInChI=1S/C17H26ClNO3S/c1-4-9-22-16-10-13(3)14(18)11-17(16)23(20,21)19-15-8-6-5-7-12(15)2/h10-12,15,19H,4-9H2,1-3H3/t12-,15-/m1/s1
InChIKeyMMJJSEJKPCNVLX-IUODEOHRSA-N
MW359.92 g/mol
LogP4.29
Rot. Bonds6

About 5-chloro-4-methyl-N-[(1R,2R)-2-methylcyclohexyl]-2-propoxybenzenesulfonamide

5-chloro-4-methyl-N-[(1R,2R)-2-methylcyclohexyl]-2-propoxybenzenesulfonamide (PubChem CID 124680601) has the molecular formula C17H26ClNO3S and a molecular weight of 359.92 g/mol. Its IUPAC name is 5-chloro-4-methyl-N-[(1R,2R)-2-methylcyclohexyl]-2-propoxybenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-4-methyl-N-[(1R,2R)-2-methylcyclohexyl]-2-propoxybenzenesulfonamide
PubChem CID124680601
Molecular FormulaC17H26ClNO3S
Molecular Weight359.92 g/mol
Exact Mass359.13
IUPAC Name5-chloro-4-methyl-N-[(1R,2R)-2-methylcyclohexyl]-2-propoxybenzenesulfonamide
SMILESCCCOc1cc(C)c(Cl)cc1S(=O)(=O)N[C@@H]1CCCC[C@H]1C
InChIInChI=1S/C17H26ClNO3S/c1-4-9-22-16-10-13(3)14(18)11-17(16)23(20,21)19-15-8-6-5-7-12(15)2/h10-12,15,19H,4-9H2,1-3H3/t12-,15-/m1/s1
InChIKeyMMJJSEJKPCNVLX-IUODEOHRSA-N
XLogP4.29
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.92
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-cyclopentyl-4-methyl-2-propoxybenzenesulfonamide
CID 7314568
5-chloro-4-methyl-2-propoxy-N-propylbenzenesulfonamide
CID 15943823
4,5-dichloro-2-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide
CID 39116281
2-methoxy-4,5-dimethyl-N-(2-methylcyclohexyl)benzenesulfonamide
CID 2984852
N-[(1S,2S)-2-methylcyclohexyl]-3,4-dipropoxybenzenesulfonamide
CID 95864987
2,4,5-trichloro-N-(2-methylcyclohexyl)benzenesulfonamide
CID 19681997
5-chloro-2-ethoxy-N-[(1R,2S)-2-methylcyclohexyl]benzenesulfonamide
CID 40793418
(2S)-1-(5-chloro-4-methyl-2-propoxyphenyl)sulfonyl-2-methylpiperidine
CID 35201851
3-butoxy-4-chloro-N-[(1R,2S)-2-methylcyclohexyl]benzenesulfonamide
CID 35202724
4-bromo-N-(2-methylcyclohexyl)-3-propoxybenzenesulfonamide
CID 16645075
2-butoxy-5-chloro-4-methyl-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 40793368
N-(4-chloro-2-methoxy-5-methylphenyl)-4-methoxy-3-[[(1S,2S)-2-methylcyclohexyl]sulfamoyl]benzamide
CID 2565157

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-methyl-N-[(1R,2R)-2-methylcyclohexyl]-2-propoxybenzenesulfonamide?
The IUPAC name of 5-chloro-4-methyl-N-[(1R,2R)-2-methylcyclohexyl]-2-propoxybenzenesulfonamide (CID 124680601) is 5-chloro-4-methyl-N-[(1R,2R)-2-methylcyclohexyl]-2-propoxybenzenesulfonamide.
What is the SMILES notation for 5-chloro-4-methyl-N-[(1R,2R)-2-methylcyclohexyl]-2-propoxybenzenesulfonamide?
The canonical SMILES for 5-chloro-4-methyl-N-[(1R,2R)-2-methylcyclohexyl]-2-propoxybenzenesulfonamide is CCCOc1cc(C)c(Cl)cc1S(=O)(=O)N[C@@H]1CCCC[C@H]1C.
What is the InChIKey of 5-chloro-4-methyl-N-[(1R,2R)-2-methylcyclohexyl]-2-propoxybenzenesulfonamide?
The InChIKey is MMJJSEJKPCNVLX-IUODEOHRSA-N. The full InChI is InChI=1S/C17H26ClNO3S/c1-4-9-22-16-10-13(3)14(18)11-17(16)23(20,21)19-15-8-6-5-7-12(15)2/h10-12,15,19H,4-9H2,1-3H3/t12-,15-/m1/s1.
What are the key properties of 5-chloro-4-methyl-N-[(1R,2R)-2-methylcyclohexyl]-2-propoxybenzenesulfonamide?
5-chloro-4-methyl-N-[(1R,2R)-2-methylcyclohexyl]-2-propoxybenzenesulfonamide has a molecular weight of 359.92 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-methyl-N-[(1R,2R)-2-methylcyclohexyl]-2-propoxybenzenesulfonamide is sourced from PubChem (CID 124680601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).