3-amino-4-[cyclohexylmethyl(methyl)amino]benzenesulfonamide

C14H23N3O2S — CID 61444804

IUPAC3-amino-4-[cyclohexylmethyl(methyl)amino]benzenesulfonamide
SMILESCN(CC1CCCCC1)c1ccc(S(N)(=O)=O)cc1N
InChIInChI=1S/C14H23N3O2S/c1-17(10-11-5-3-2-4-6-11)14-8-7-12(9-13(14)15)20(16,18)19/h7-9,11H,2-6,10,15H2,1H3,(H2,16,18,19)
InChIKeyGBYGZABLBCGJRM-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.93
Rot. Bonds4

About 3-amino-4-[cyclohexylmethyl(methyl)amino]benzenesulfonamide

3-amino-4-[cyclohexylmethyl(methyl)amino]benzenesulfonamide (PubChem CID 61444804) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 3-amino-4-[cyclohexylmethyl(methyl)amino]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-[cyclohexylmethyl(methyl)amino]benzenesulfonamide
PubChem CID61444804
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name3-amino-4-[cyclohexylmethyl(methyl)amino]benzenesulfonamide
SMILESCN(CC1CCCCC1)c1ccc(S(N)(=O)=O)cc1N
InChIInChI=1S/C14H23N3O2S/c1-17(10-11-5-3-2-4-6-11)14-8-7-12(9-13(14)15)20(16,18)19/h7-9,11H,2-6,10,15H2,1H3,(H2,16,18,19)
InChIKeyGBYGZABLBCGJRM-UHFFFAOYSA-N
XLogP1.93
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.93
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

1-N-(cyclohexylmethyl)-4-iodo-1-N-methylbenzene-1,2-diamine
CID 66063936
3-amino-4-[cyclopropylmethyl(propyl)amino]benzenesulfonamide
CID 43588041
4-cyano-3-[cyclobutylmethyl(methyl)amino]benzenesulfonamide
CID 119050895
3-amino-4-[cyclopropyl(methyl)amino]benzenesulfonamide
CID 43264692
methyl 3-amino-4-[cyclopentylmethyl(methyl)amino]benzoate
CID 55250036
3-amino-4-[methyl(3-methylbutyl)amino]benzenesulfonamide
CID 61429947
4-amino-3-[cyclobutylmethyl(methyl)amino]-N-ethylbenzenesulfonamide
CID 82900867
4-bromo-1-N-(cyclopropylmethyl)-1-N-methylbenzene-1,2-diamine
CID 60985000
5-amino-2-[cyclopentylmethyl(methyl)amino]-N-methylbenzenesulfonamide
CID 103287062
3-fluoro-4-[methyl(piperidin-2-ylmethyl)amino]benzenesulfonamide
CID 106642160
3-amino-N,N-dimethyl-4-[methyl(oxolan-2-ylmethyl)amino]benzenesulfonamide
CID 61431527
3-N-(cyclohexylmethyl)-3-N,4-dimethylbenzene-1,3-diamine
CID 62589993

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[cyclohexylmethyl(methyl)amino]benzenesulfonamide?
The IUPAC name of 3-amino-4-[cyclohexylmethyl(methyl)amino]benzenesulfonamide (CID 61444804) is 3-amino-4-[cyclohexylmethyl(methyl)amino]benzenesulfonamide.
What is the SMILES notation for 3-amino-4-[cyclohexylmethyl(methyl)amino]benzenesulfonamide?
The canonical SMILES for 3-amino-4-[cyclohexylmethyl(methyl)amino]benzenesulfonamide is CN(CC1CCCCC1)c1ccc(S(N)(=O)=O)cc1N.
What is the InChIKey of 3-amino-4-[cyclohexylmethyl(methyl)amino]benzenesulfonamide?
The InChIKey is GBYGZABLBCGJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-17(10-11-5-3-2-4-6-11)14-8-7-12(9-13(14)15)20(16,18)19/h7-9,11H,2-6,10,15H2,1H3,(H2,16,18,19).
What are the key properties of 3-amino-4-[cyclohexylmethyl(methyl)amino]benzenesulfonamide?
3-amino-4-[cyclohexylmethyl(methyl)amino]benzenesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[cyclohexylmethyl(methyl)amino]benzenesulfonamide is sourced from PubChem (CID 61444804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).