2-amino-4-(hexan-3-ylamino)-N-methylbenzenesulfonamide

C13H23N3O2S — CID 80645596

IUPAC2-amino-4-(hexan-3-ylamino)-N-methylbenzenesulfonamide
SMILESCCCC(CC)Nc1ccc(S(=O)(=O)NC)c(N)c1
InChIInChI=1S/C13H23N3O2S/c1-4-6-10(5-2)16-11-7-8-13(12(14)9-11)19(17,18)15-3/h7-10,15-16H,4-6,14H2,1-3H3
InChIKeyWKTAPAHXBYXFMJ-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.17
Rot. Bonds7

About 2-amino-4-(hexan-3-ylamino)-N-methylbenzenesulfonamide

2-amino-4-(hexan-3-ylamino)-N-methylbenzenesulfonamide (PubChem CID 80645596) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is 2-amino-4-(hexan-3-ylamino)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-(hexan-3-ylamino)-N-methylbenzenesulfonamide
PubChem CID80645596
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC Name2-amino-4-(hexan-3-ylamino)-N-methylbenzenesulfonamide
SMILESCCCC(CC)Nc1ccc(S(=O)(=O)NC)c(N)c1
InChIInChI=1S/C13H23N3O2S/c1-4-6-10(5-2)16-11-7-8-13(12(14)9-11)19(17,18)15-3/h7-10,15-16H,4-6,14H2,1-3H3
InChIKeyWKTAPAHXBYXFMJ-UHFFFAOYSA-N
XLogP2.17
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-methyl-4-(2-methylpentan-3-ylamino)benzenesulfonamide
CID 80645869
2-amino-N-methyl-4-(4-methylhexan-2-ylamino)benzenesulfonamide
CID 80645953
2-amino-N-methyl-4-(octylamino)benzenesulfonamide
CID 115566200
2-(hexan-3-ylamino)-N-methylbenzenesulfonamide
CID 62119321
2-amino-N-methyl-4-(2-sulfamoylethylamino)benzenesulfonamide
CID 80645656
2-amino-N-methyl-4-(3-propoxypropylamino)benzenesulfonamide
CID 82942729
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-[(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-[methyl(pentan-3-yl)amino]benzenesulfonamide
CID 80646366
2-amino-N-methyl-4-(1-pyridin-3-ylethylamino)benzenesulfonamide
CID 80641118

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(hexan-3-ylamino)-N-methylbenzenesulfonamide?
The IUPAC name of 2-amino-4-(hexan-3-ylamino)-N-methylbenzenesulfonamide (CID 80645596) is 2-amino-4-(hexan-3-ylamino)-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-amino-4-(hexan-3-ylamino)-N-methylbenzenesulfonamide?
The canonical SMILES for 2-amino-4-(hexan-3-ylamino)-N-methylbenzenesulfonamide is CCCC(CC)Nc1ccc(S(=O)(=O)NC)c(N)c1.
What is the InChIKey of 2-amino-4-(hexan-3-ylamino)-N-methylbenzenesulfonamide?
The InChIKey is WKTAPAHXBYXFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-4-6-10(5-2)16-11-7-8-13(12(14)9-11)19(17,18)15-3/h7-10,15-16H,4-6,14H2,1-3H3.
What are the key properties of 2-amino-4-(hexan-3-ylamino)-N-methylbenzenesulfonamide?
2-amino-4-(hexan-3-ylamino)-N-methylbenzenesulfonamide has a molecular weight of 285.41 g/mol, XLogP of 2.17, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(hexan-3-ylamino)-N-methylbenzenesulfonamide is sourced from PubChem (CID 80645596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).