3-[(2,6-dimethylcyclohexyl)amino]-4-methoxybenzenesulfonamide

C15H24N2O3S — CID 43743918

IUPAC3-[(2,6-dimethylcyclohexyl)amino]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(N)(=O)=O)cc1NC1C(C)CCCC1C
InChIInChI=1S/C15H24N2O3S/c1-10-5-4-6-11(2)15(10)17-13-9-12(21(16,18)19)7-8-14(13)20-3/h7-11,15,17H,4-6H2,1-3H3,(H2,16,18,19)
InChIKeyWFZDXEPGRWTVJD-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.58
Rot. Bonds4

About 3-[(2,6-dimethylcyclohexyl)amino]-4-methoxybenzenesulfonamide

3-[(2,6-dimethylcyclohexyl)amino]-4-methoxybenzenesulfonamide (PubChem CID 43743918) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 3-[(2,6-dimethylcyclohexyl)amino]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-[(2,6-dimethylcyclohexyl)amino]-4-methoxybenzenesulfonamide
PubChem CID43743918
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name3-[(2,6-dimethylcyclohexyl)amino]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(N)(=O)=O)cc1NC1C(C)CCCC1C
InChIInChI=1S/C15H24N2O3S/c1-10-5-4-6-11(2)15(10)17-13-9-12(21(16,18)19)7-8-14(13)20-3/h7-11,15,17H,4-6H2,1-3H3,(H2,16,18,19)
InChIKeyWFZDXEPGRWTVJD-UHFFFAOYSA-N
XLogP2.58
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyclopropylamino)-4-methoxybenzenesulfonamide
CID 103439129
4-methoxy-3-[(4-methylcycloheptyl)amino]benzenesulfonamide
CID 65080223
4-methoxy-3-[(3-methylcyclopentyl)amino]benzenesulfonamide
CID 64501520
3-[(2,6-dimethylcyclohexyl)amino]-4-methoxybenzoic acid
CID 63743628
4-methoxy-3-[(5-methylthiolan-3-yl)amino]benzenesulfonamide
CID 79942009
N-(2-methoxy-5-sulfamoylphenyl)-2-methylcyclopropane-1-carboxamide
CID 47154229
2-amino-N-(2-methoxy-5-sulfamoylphenyl)cyclopentane-1-carboxamide
CID 64822574
trans-(1R,2R)-2-[(2-methoxy-5-sulfamoylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 129365678
4-chloro-N-(2,6-dimethylcyclohexyl)-2-methoxy-5-methylaniline
CID 43106401
(2R)-N-(2-methoxy-5-sulfamoylphenyl)piperidine-2-carboxamide
CID 104913098
4-amino-3-[(2-methoxycyclopentyl)amino]benzenesulfonamide
CID 82906942
3-amino-4-methoxy-N-(2-methylcyclopentyl)benzenesulfonamide
CID 63277889

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dimethylcyclohexyl)amino]-4-methoxybenzenesulfonamide?
The IUPAC name of 3-[(2,6-dimethylcyclohexyl)amino]-4-methoxybenzenesulfonamide (CID 43743918) is 3-[(2,6-dimethylcyclohexyl)amino]-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-[(2,6-dimethylcyclohexyl)amino]-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-[(2,6-dimethylcyclohexyl)amino]-4-methoxybenzenesulfonamide is COc1ccc(S(N)(=O)=O)cc1NC1C(C)CCCC1C.
What is the InChIKey of 3-[(2,6-dimethylcyclohexyl)amino]-4-methoxybenzenesulfonamide?
The InChIKey is WFZDXEPGRWTVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-10-5-4-6-11(2)15(10)17-13-9-12(21(16,18)19)7-8-14(13)20-3/h7-11,15,17H,4-6H2,1-3H3,(H2,16,18,19).
What are the key properties of 3-[(2,6-dimethylcyclohexyl)amino]-4-methoxybenzenesulfonamide?
3-[(2,6-dimethylcyclohexyl)amino]-4-methoxybenzenesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dimethylcyclohexyl)amino]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 43743918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).