2-amino-N-methyl-4-(4-methylhexan-2-ylamino)benzenesulfonamide

C14H25N3O2S — CID 80645953

IUPAC2-amino-N-methyl-4-(4-methylhexan-2-ylamino)benzenesulfonamide
SMILESCCC(C)CC(C)Nc1ccc(S(=O)(=O)NC)c(N)c1
InChIInChI=1S/C14H25N3O2S/c1-5-10(2)8-11(3)17-12-6-7-14(13(15)9-12)20(18,19)16-4/h6-7,9-11,16-17H,5,8,15H2,1-4H3
InChIKeyUZRFNVLGPFZZKH-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.41
Rot. Bonds7

About 2-amino-N-methyl-4-(4-methylhexan-2-ylamino)benzenesulfonamide

2-amino-N-methyl-4-(4-methylhexan-2-ylamino)benzenesulfonamide (PubChem CID 80645953) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is 2-amino-N-methyl-4-(4-methylhexan-2-ylamino)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-methyl-4-(4-methylhexan-2-ylamino)benzenesulfonamide
PubChem CID80645953
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC Name2-amino-N-methyl-4-(4-methylhexan-2-ylamino)benzenesulfonamide
SMILESCCC(C)CC(C)Nc1ccc(S(=O)(=O)NC)c(N)c1
InChIInChI=1S/C14H25N3O2S/c1-5-10(2)8-11(3)17-12-6-7-14(13(15)9-12)20(18,19)16-4/h6-7,9-11,16-17H,5,8,15H2,1-4H3
InChIKeyUZRFNVLGPFZZKH-UHFFFAOYSA-N
XLogP2.41
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-N-methyl-4-(4-methylhexan-2-ylamino)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-methyl-4-(2-methylpentan-3-ylamino)benzenesulfonamide
CID 80645869
2-amino-4-(hexan-3-ylamino)-N-methylbenzenesulfonamide
CID 80645596
2-amino-N-methyl-4-[(2-methyl-3-methylsulfanylpropyl)amino]benzenesulfonamide
CID 80646449
2-amino-N-methyl-4-(1-thiophen-3-ylethylamino)benzenesulfonamide
CID 80645874
2-amino-N-methyl-4-(octylamino)benzenesulfonamide
CID 115566200
2-amino-N-methyl-4-(2-sulfamoylethylamino)benzenesulfonamide
CID 80645656
2-amino-N-methyl-4-(1-pyridin-3-ylethylamino)benzenesulfonamide
CID 80641118
2-amino-4-[(2-hydroxy-2,4-dimethylpentyl)amino]-N-methylbenzenesulfonamide
CID 80640880
4-N-(4-methylpentan-2-yl)benzene-1,2,4-triamine
CID 106750392
2-amino-4-(3-hydroxypropylamino)-N-methylbenzenesulfonamide
CID 80645934
2-amino-4-[(2,2-dimethylcyclopropyl)amino]-N-methylbenzenesulfonamide
CID 80646229
2-amino-N-methyl-4-(4-methylpentan-2-yloxy)benzenesulfonamide
CID 80646385

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-4-(4-methylhexan-2-ylamino)benzenesulfonamide?
The IUPAC name of 2-amino-N-methyl-4-(4-methylhexan-2-ylamino)benzenesulfonamide (CID 80645953) is 2-amino-N-methyl-4-(4-methylhexan-2-ylamino)benzenesulfonamide.
What is the SMILES notation for 2-amino-N-methyl-4-(4-methylhexan-2-ylamino)benzenesulfonamide?
The canonical SMILES for 2-amino-N-methyl-4-(4-methylhexan-2-ylamino)benzenesulfonamide is CCC(C)CC(C)Nc1ccc(S(=O)(=O)NC)c(N)c1.
What is the InChIKey of 2-amino-N-methyl-4-(4-methylhexan-2-ylamino)benzenesulfonamide?
The InChIKey is UZRFNVLGPFZZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-5-10(2)8-11(3)17-12-6-7-14(13(15)9-12)20(18,19)16-4/h6-7,9-11,16-17H,5,8,15H2,1-4H3.
What are the key properties of 2-amino-N-methyl-4-(4-methylhexan-2-ylamino)benzenesulfonamide?
2-amino-N-methyl-4-(4-methylhexan-2-ylamino)benzenesulfonamide has a molecular weight of 299.44 g/mol, XLogP of 2.41, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-4-(4-methylhexan-2-ylamino)benzenesulfonamide is sourced from PubChem (CID 80645953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).