3-[(3,5-dimethylcyclohexyl)amino]-4-methylbenzenesulfonamide

C15H24N2O2S — CID 64753179

IUPAC3-[(3,5-dimethylcyclohexyl)amino]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(N)(=O)=O)cc1NC1CC(C)CC(C)C1
InChIInChI=1S/C15H24N2O2S/c1-10-6-11(2)8-13(7-10)17-15-9-14(20(16,18)19)5-4-12(15)3/h4-5,9-11,13,17H,6-8H2,1-3H3,(H2,16,18,19)
InChIKeyBQKYWMBZEWGDPN-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.88
Rot. Bonds3

About 3-[(3,5-dimethylcyclohexyl)amino]-4-methylbenzenesulfonamide

3-[(3,5-dimethylcyclohexyl)amino]-4-methylbenzenesulfonamide (PubChem CID 64753179) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 3-[(3,5-dimethylcyclohexyl)amino]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-[(3,5-dimethylcyclohexyl)amino]-4-methylbenzenesulfonamide
PubChem CID64753179
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name3-[(3,5-dimethylcyclohexyl)amino]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(N)(=O)=O)cc1NC1CC(C)CC(C)C1
InChIInChI=1S/C15H24N2O2S/c1-10-6-11(2)8-13(7-10)17-15-9-14(20(16,18)19)5-4-12(15)3/h4-5,9-11,13,17H,6-8H2,1-3H3,(H2,16,18,19)
InChIKeyBQKYWMBZEWGDPN-UHFFFAOYSA-N
XLogP2.88
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-3-[(1-oxothian-4-yl)amino]benzenesulfonamide
CID 54981628
3-[(1,1-dioxothiolan-3-yl)amino]-4-methylbenzenesulfonamide
CID 55158540
3-[(3-methoxycyclohexyl)amino]-4-methylbenzenesulfonamide
CID 106871906
4-methyl-3-(thian-3-ylamino)benzenesulfonamide
CID 55129972
N-(3,5-dimethylcyclohexyl)-5-fluoro-2-methylaniline
CID 64722393
4-(2-methyl-5-sulfamoylanilino)piperidine-1-carboxamide
CID 43790791
4-amino-3-[(3-methylcyclohexyl)amino]benzenesulfonamide
CID 82907463
2-methyl-5-methylsulfonyl-N-(3,3,5-trimethylcyclohexyl)aniline
CID 43685145
4-methoxy-3-[(3-methylcyclopentyl)amino]benzenesulfonamide
CID 64501520
2-methyl-3-[(3-methylcyclobutyl)amino]benzenesulfonamide
CID 103561715
3-(1-azabicyclo[2.2.2]octan-3-ylamino)-4-methylbenzenesulfonamide
CID 43744289
3-[(3-aminocyclohexyl)amino]-N,4-dimethylbenzenesulfonamide
CID 79459145

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethylcyclohexyl)amino]-4-methylbenzenesulfonamide?
The IUPAC name of 3-[(3,5-dimethylcyclohexyl)amino]-4-methylbenzenesulfonamide (CID 64753179) is 3-[(3,5-dimethylcyclohexyl)amino]-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-[(3,5-dimethylcyclohexyl)amino]-4-methylbenzenesulfonamide?
The canonical SMILES for 3-[(3,5-dimethylcyclohexyl)amino]-4-methylbenzenesulfonamide is Cc1ccc(S(N)(=O)=O)cc1NC1CC(C)CC(C)C1.
What is the InChIKey of 3-[(3,5-dimethylcyclohexyl)amino]-4-methylbenzenesulfonamide?
The InChIKey is BQKYWMBZEWGDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-10-6-11(2)8-13(7-10)17-15-9-14(20(16,18)19)5-4-12(15)3/h4-5,9-11,13,17H,6-8H2,1-3H3,(H2,16,18,19).
What are the key properties of 3-[(3,5-dimethylcyclohexyl)amino]-4-methylbenzenesulfonamide?
3-[(3,5-dimethylcyclohexyl)amino]-4-methylbenzenesulfonamide has a molecular weight of 296.44 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethylcyclohexyl)amino]-4-methylbenzenesulfonamide is sourced from PubChem (CID 64753179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).