3,4-dimethoxy-N-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]benzenesulfonamide

C18H29NO4S — CID 51672912

IUPAC3,4-dimethoxy-N-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)cc1OC
InChIInChI=1S/C18H29NO4S/c1-12(2)15-8-6-13(3)10-16(15)19-24(20,21)14-7-9-17(22-4)18(11-14)23-5/h7,9,11-13,15-16,19H,6,8,10H2,1-5H3/t13-,15-,16+/m0/s1
InChIKeyZCXPUBCVZLDJTQ-CWRNSKLLSA-N
MW355.50 g/mol
LogP3.44
Rot. Bonds6

About 3,4-dimethoxy-N-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]benzenesulfonamide

3,4-dimethoxy-N-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]benzenesulfonamide (PubChem CID 51672912) has the molecular formula C18H29NO4S and a molecular weight of 355.50 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]benzenesulfonamide
PubChem CID51672912
Molecular FormulaC18H29NO4S
Molecular Weight355.50 g/mol
Exact Mass355.18
IUPAC Name3,4-dimethoxy-N-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)cc1OC
InChIInChI=1S/C18H29NO4S/c1-12(2)15-8-6-13(3)10-16(15)19-24(20,21)14-7-9-17(22-4)18(11-14)23-5/h7,9,11-13,15-16,19H,6,8,10H2,1-5H3/t13-,15-,16+/m0/s1
InChIKeyZCXPUBCVZLDJTQ-CWRNSKLLSA-N
XLogP3.44
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.50
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,4-dimethoxy-N-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]benzenesulfonamide with MolForge

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Related Compounds

3,4-dimethoxy-N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]benzenesulfonamide
CID 51672911
4-methyl-N-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]benzenesulfonamide
CID 164677819
3,4-dimethoxy-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114545216
N-(5-methyl-2-propan-2-ylcyclohexyl)benzenesulfonamide
CID 42960041
3-amino-4-methoxy-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114542864
3-chloro-4-methoxy-N-(5-methyl-2-propan-2-ylcyclohexyl)aniline
CID 43099443
N-[(5-bromo-2-methoxyphenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 43710191
4-(cyclopropylsulfamoyl)-N-(5-methyl-2-propan-2-ylcyclohexyl)benzamide
CID 55662861
3,4-dimethoxy-N-[(2S)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide
CID 126395227
3,4-dimethoxy-N-pyrrolidin-3-ylbenzenesulfonamide
CID 62379889
N-(4-tert-butylcyclohexyl)-3,4-dimethoxybenzenesulfonamide
CID 22772433
N-(5-methyl-2-propan-2-ylcyclohexyl)propane-1-sulfonamide
CID 61383803

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]benzenesulfonamide?
The IUPAC name of 3,4-dimethoxy-N-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]benzenesulfonamide (CID 51672912) is 3,4-dimethoxy-N-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dimethoxy-N-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]benzenesulfonamide?
The canonical SMILES for 3,4-dimethoxy-N-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]benzenesulfonamide is COc1ccc(S(=O)(=O)N[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]benzenesulfonamide?
The InChIKey is ZCXPUBCVZLDJTQ-CWRNSKLLSA-N. The full InChI is InChI=1S/C18H29NO4S/c1-12(2)15-8-6-13(3)10-16(15)19-24(20,21)14-7-9-17(22-4)18(11-14)23-5/h7,9,11-13,15-16,19H,6,8,10H2,1-5H3/t13-,15-,16+/m0/s1.
What are the key properties of 3,4-dimethoxy-N-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]benzenesulfonamide?
3,4-dimethoxy-N-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]benzenesulfonamide has a molecular weight of 355.50 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]benzenesulfonamide is sourced from PubChem (CID 51672912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).