1-(3-aminophenyl)-N-(3-methylcyclohexyl)methanesulfonamide

C14H22N2O2S — CID 43317757

IUPAC1-(3-aminophenyl)-N-(3-methylcyclohexyl)methanesulfonamide
SMILESCC1CCCC(NS(=O)(=O)Cc2cccc(N)c2)C1
InChIInChI=1S/C14H22N2O2S/c1-11-4-2-7-14(8-11)16-19(17,18)10-12-5-3-6-13(15)9-12/h3,5-6,9,11,14,16H,2,4,7-8,10,15H2,1H3
InChIKeyHWQPFZMKWXFJPX-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.27
Rot. Bonds4

About 1-(3-aminophenyl)-N-(3-methylcyclohexyl)methanesulfonamide

1-(3-aminophenyl)-N-(3-methylcyclohexyl)methanesulfonamide (PubChem CID 43317757) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 1-(3-aminophenyl)-N-(3-methylcyclohexyl)methanesulfonamide.

Molecular Properties

Compound Name1-(3-aminophenyl)-N-(3-methylcyclohexyl)methanesulfonamide
PubChem CID43317757
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name1-(3-aminophenyl)-N-(3-methylcyclohexyl)methanesulfonamide
SMILESCC1CCCC(NS(=O)(=O)Cc2cccc(N)c2)C1
InChIInChI=1S/C14H22N2O2S/c1-11-4-2-7-14(8-11)16-19(17,18)10-12-5-3-6-13(15)9-12/h3,5-6,9,11,14,16H,2,4,7-8,10,15H2,1H3
InChIKeyHWQPFZMKWXFJPX-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-benzylbenzene-1-sulfonamide
CID 66909
N,1-diphenylmethanesulfonamide
CID 669287
N-(3-(3-aminopropyl)phenyl)benzenesulfonamide
CID 11849197
N-phenyl-3-(2-aminoethyl)benzenesulfonamide
CID 11849794
N-[4-(2-aminoethyl)phenyl]Benzenesulfonamide
CID 15281645
N-(2-ethylphenyl)-1-phenylmethanesulfonamide
CID 669288
N-(3-fluorophenyl)-1-phenylmethanesulfonamide
CID 872253
(E)-N-(4-Fluorophenyl)-2-Phenylethenesulfonamide
CID 730266
N-(3-(2-aminoethyl)phenyl)benzenesulfonamide
CID 11849194
N-(3-(aminomethyl)phenyl)benzenesulfonamide
CID 11849791
N-2-(4-(4-aminophenyl)phenyl)propyl 2-propanesulfonamide
CID 10520589
N-[3-[4-[(1R,2S)-2-aminocyclopropyl]phenyl]phenyl]propane-2-sulfonamide
CID 60161811

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-N-(3-methylcyclohexyl)methanesulfonamide?
The IUPAC name of 1-(3-aminophenyl)-N-(3-methylcyclohexyl)methanesulfonamide (CID 43317757) is 1-(3-aminophenyl)-N-(3-methylcyclohexyl)methanesulfonamide.
What is the SMILES notation for 1-(3-aminophenyl)-N-(3-methylcyclohexyl)methanesulfonamide?
The canonical SMILES for 1-(3-aminophenyl)-N-(3-methylcyclohexyl)methanesulfonamide is CC1CCCC(NS(=O)(=O)Cc2cccc(N)c2)C1.
What is the InChIKey of 1-(3-aminophenyl)-N-(3-methylcyclohexyl)methanesulfonamide?
The InChIKey is HWQPFZMKWXFJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-11-4-2-7-14(8-11)16-19(17,18)10-12-5-3-6-13(15)9-12/h3,5-6,9,11,14,16H,2,4,7-8,10,15H2,1H3.
What are the key properties of 1-(3-aminophenyl)-N-(3-methylcyclohexyl)methanesulfonamide?
1-(3-aminophenyl)-N-(3-methylcyclohexyl)methanesulfonamide has a molecular weight of 282.41 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-N-(3-methylcyclohexyl)methanesulfonamide is sourced from PubChem (CID 43317757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).