4-amino-3-(cyclohexylmethoxy)-N-methylbenzenesulfonamide

C14H22N2O3S — CID 82901614

IUPAC4-amino-3-(cyclohexylmethoxy)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N)c(OCC2CCCCC2)c1
InChIInChI=1S/C14H22N2O3S/c1-16-20(17,18)12-7-8-13(15)14(9-12)19-10-11-5-3-2-4-6-11/h7-9,11,16H,2-6,10,15H2,1H3
InChIKeyREEFOZSZCKVNCQ-UHFFFAOYSA-N
MW298.41 g/mol
LogP2.14
Rot. Bonds5

About 4-amino-3-(cyclohexylmethoxy)-N-methylbenzenesulfonamide

4-amino-3-(cyclohexylmethoxy)-N-methylbenzenesulfonamide (PubChem CID 82901614) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 4-amino-3-(cyclohexylmethoxy)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-(cyclohexylmethoxy)-N-methylbenzenesulfonamide
PubChem CID82901614
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name4-amino-3-(cyclohexylmethoxy)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N)c(OCC2CCCCC2)c1
InChIInChI=1S/C14H22N2O3S/c1-16-20(17,18)12-7-8-13(15)14(9-12)19-10-11-5-3-2-4-6-11/h7-9,11,16H,2-6,10,15H2,1H3
InChIKeyREEFOZSZCKVNCQ-UHFFFAOYSA-N
XLogP2.14
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-(cyclopropylmethoxy)-N-methylbenzenesulfonamide
CID 82900892
4-amino-3-(cyclopropylmethoxy)-N,N-dimethylbenzenesulfonamide
CID 82900891
4-amino-N-methyl-3-(2-methylcyclohexyl)oxybenzenesulfonamide
CID 82901248
4-amino-3-(3-ethylcyclohexyl)oxy-N-methylbenzenesulfonamide
CID 82903502
3-amino-4-cycloheptyloxy-N-methylbenzenesulfonamide
CID 61069538
4-amino-3-(cycloheptylmethoxy)benzamide
CID 114247963
4-amino-N-methyl-3-(2-propan-2-yloxyethoxy)benzenesulfonamide
CID 82901458
4-amino-3-(cyclohexylmethoxy)-N-ethylbenzamide
CID 63358647
4-amino-N-cyclopentyl-3-methoxybenzenesulfonamide
CID 81437928
3-amino-4-(2-cyclopentylethylamino)-N-methylbenzenesulfonamide
CID 60920158
4-amino-N-methyl-3-(4,4,4-trifluorobutoxy)benzenesulfonamide
CID 82900533
4-amino-3-(cyclopentylmethoxy)benzoic acid
CID 61344123

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(cyclohexylmethoxy)-N-methylbenzenesulfonamide?
The IUPAC name of 4-amino-3-(cyclohexylmethoxy)-N-methylbenzenesulfonamide (CID 82901614) is 4-amino-3-(cyclohexylmethoxy)-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-amino-3-(cyclohexylmethoxy)-N-methylbenzenesulfonamide?
The canonical SMILES for 4-amino-3-(cyclohexylmethoxy)-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(N)c(OCC2CCCCC2)c1.
What is the InChIKey of 4-amino-3-(cyclohexylmethoxy)-N-methylbenzenesulfonamide?
The InChIKey is REEFOZSZCKVNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-16-20(17,18)12-7-8-13(15)14(9-12)19-10-11-5-3-2-4-6-11/h7-9,11,16H,2-6,10,15H2,1H3.
What are the key properties of 4-amino-3-(cyclohexylmethoxy)-N-methylbenzenesulfonamide?
4-amino-3-(cyclohexylmethoxy)-N-methylbenzenesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(cyclohexylmethoxy)-N-methylbenzenesulfonamide is sourced from PubChem (CID 82901614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).