4-methyl-3-(3-methylcyclohexyl)sulfonylaniline

C14H21NO2S — CID 81190873

IUPAC4-methyl-3-(3-methylcyclohexyl)sulfonylaniline
SMILESCc1ccc(N)cc1S(=O)(=O)C1CCCC(C)C1
InChIInChI=1S/C14H21NO2S/c1-10-4-3-5-13(8-10)18(16,17)14-9-12(15)7-6-11(14)2/h6-7,9-10,13H,3-5,8,15H2,1-2H3
InChIKeyCNDTUFZICKYKFN-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.93
Rot. Bonds2

About 4-methyl-3-(3-methylcyclohexyl)sulfonylaniline

4-methyl-3-(3-methylcyclohexyl)sulfonylaniline (PubChem CID 81190873) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 4-methyl-3-(3-methylcyclohexyl)sulfonylaniline.

Molecular Properties

Compound Name4-methyl-3-(3-methylcyclohexyl)sulfonylaniline
PubChem CID81190873
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name4-methyl-3-(3-methylcyclohexyl)sulfonylaniline
SMILESCc1ccc(N)cc1S(=O)(=O)C1CCCC(C)C1
InChIInChI=1S/C14H21NO2S/c1-10-4-3-5-13(8-10)18(16,17)14-9-12(15)7-6-11(14)2/h6-7,9-10,13H,3-5,8,15H2,1-2H3
InChIKeyCNDTUFZICKYKFN-UHFFFAOYSA-N
XLogP2.93
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-2-(3-methylcyclohexyl)sulfonylaniline
CID 81183010
4-cyclohexylsulfonyl-3-methylaniline
CID 81193220
3-(2,6-dimethylpiperidin-1-yl)sulfonyl-4-methylaniline
CID 43093346
5-amino-N-(3,5-dimethylcyclohexyl)-2-methylbenzenesulfonamide
CID 64732456
4-methyl-3-(3-methylsulfonylcyclohexyl)sulfinylaniline
CID 81190099
3-(cyclopropylmethoxymethylsulfonyl)-4-methylaniline
CID 106931523
4-(3,5-dimethylcyclohexyl)sulfonyl-3-methoxyaniline
CID 81207202
2-[(3-methylcyclohexyl)sulfonylmethyl]-1,3-benzoxazol-6-amine
CID 79998646
4-(3-ethylcyclohexyl)sulfonyl-3-methoxyaniline
CID 81206562
3-cyclopentylsulfonyl-4-methylbenzoic acid
CID 43140797
4-cyclopentylsulfonyl-3-methoxyaniline
CID 81207041
5-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2-methylbenzenesulfonamide
CID 107213448

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(3-methylcyclohexyl)sulfonylaniline?
The IUPAC name of 4-methyl-3-(3-methylcyclohexyl)sulfonylaniline (CID 81190873) is 4-methyl-3-(3-methylcyclohexyl)sulfonylaniline.
What is the SMILES notation for 4-methyl-3-(3-methylcyclohexyl)sulfonylaniline?
The canonical SMILES for 4-methyl-3-(3-methylcyclohexyl)sulfonylaniline is Cc1ccc(N)cc1S(=O)(=O)C1CCCC(C)C1.
What is the InChIKey of 4-methyl-3-(3-methylcyclohexyl)sulfonylaniline?
The InChIKey is CNDTUFZICKYKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-10-4-3-5-13(8-10)18(16,17)14-9-12(15)7-6-11(14)2/h6-7,9-10,13H,3-5,8,15H2,1-2H3.
What are the key properties of 4-methyl-3-(3-methylcyclohexyl)sulfonylaniline?
4-methyl-3-(3-methylcyclohexyl)sulfonylaniline has a molecular weight of 267.39 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(3-methylcyclohexyl)sulfonylaniline is sourced from PubChem (CID 81190873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).