3-(cyclohexylmethylamino)-4-methylbenzenesulfonamide

C14H22N2O2S — CID 43744206

IUPAC3-(cyclohexylmethylamino)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(N)(=O)=O)cc1NCC1CCCCC1
InChIInChI=1S/C14H22N2O2S/c1-11-7-8-13(19(15,17)18)9-14(11)16-10-12-5-3-2-4-6-12/h7-9,12,16H,2-6,10H2,1H3,(H2,15,17,18)
InChIKeyIIJSTVGSKORMDM-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.63
Rot. Bonds4

About 3-(cyclohexylmethylamino)-4-methylbenzenesulfonamide

3-(cyclohexylmethylamino)-4-methylbenzenesulfonamide (PubChem CID 43744206) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 3-(cyclohexylmethylamino)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-(cyclohexylmethylamino)-4-methylbenzenesulfonamide
PubChem CID43744206
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name3-(cyclohexylmethylamino)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(N)(=O)=O)cc1NCC1CCCCC1
InChIInChI=1S/C14H22N2O2S/c1-11-7-8-13(19(15,17)18)9-14(11)16-10-12-5-3-2-4-6-12/h7-9,12,16H,2-6,10H2,1H3,(H2,15,17,18)
InChIKeyIIJSTVGSKORMDM-UHFFFAOYSA-N
XLogP2.63
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3-(cyclopentylmethylamino)benzenesulfonamide
CID 82907537
3-[[(1R)-cyclohex-3-en-1-yl]methylamino]-4-methylbenzenesulfonamide
CID 129365495
N-(cyclopropylmethyl)-2-methyl-5-methylsulfonylaniline
CID 43685183
2-(cyclopropylmethylamino)-N-(2-methyl-5-sulfamoylphenyl)acetamide
CID 60866226
4-amino-3-[(1-methylpiperidin-3-yl)methylamino]benzenesulfonamide
CID 82907550
4-(cyclopentylmethoxy)-3-methylbenzenesulfonamide
CID 61344661
N-(2-methyl-5-sulfamoylphenyl)piperidine-1-sulfonamide
CID 61132651
4-methyl-3-(pyridin-4-ylmethylamino)benzenesulfonamide
CID 43744201
4-(cyclobutylmethoxy)-3-methylbenzenesulfonamide
CID 65459454
3-bromo-4-(piperidin-3-ylmethylamino)benzenesulfonamide
CID 80554293
3-[(3-methoxycyclohexyl)amino]-4-methylbenzenesulfonamide
CID 106871906
3-nitro-4-(thian-4-ylmethylamino)benzenesulfonamide
CID 67227080

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethylamino)-4-methylbenzenesulfonamide?
The IUPAC name of 3-(cyclohexylmethylamino)-4-methylbenzenesulfonamide (CID 43744206) is 3-(cyclohexylmethylamino)-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-(cyclohexylmethylamino)-4-methylbenzenesulfonamide?
The canonical SMILES for 3-(cyclohexylmethylamino)-4-methylbenzenesulfonamide is Cc1ccc(S(N)(=O)=O)cc1NCC1CCCCC1.
What is the InChIKey of 3-(cyclohexylmethylamino)-4-methylbenzenesulfonamide?
The InChIKey is IIJSTVGSKORMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-11-7-8-13(19(15,17)18)9-14(11)16-10-12-5-3-2-4-6-12/h7-9,12,16H,2-6,10H2,1H3,(H2,15,17,18).
What are the key properties of 3-(cyclohexylmethylamino)-4-methylbenzenesulfonamide?
3-(cyclohexylmethylamino)-4-methylbenzenesulfonamide has a molecular weight of 282.41 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethylamino)-4-methylbenzenesulfonamide is sourced from PubChem (CID 43744206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).