2-[(2-amino-4,4-dimethylpentyl)amino]benzenesulfonamide

C13H23N3O2S — CID 107159038

IUPAC2-[(2-amino-4,4-dimethylpentyl)amino]benzenesulfonamide
SMILESCC(C)(C)CC(N)CNc1ccccc1S(N)(=O)=O
InChIInChI=1S/C13H23N3O2S/c1-13(2,3)8-10(14)9-16-11-6-4-5-7-12(11)19(15,17)18/h4-7,10,16H,8-9,14H2,1-3H3,(H2,15,17,18)
InChIKeyRHDDBKJBLDGFLK-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.51
Rot. Bonds5

About 2-[(2-amino-4,4-dimethylpentyl)amino]benzenesulfonamide

2-[(2-amino-4,4-dimethylpentyl)amino]benzenesulfonamide (PubChem CID 107159038) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is 2-[(2-amino-4,4-dimethylpentyl)amino]benzenesulfonamide.

Molecular Properties

Compound Name2-[(2-amino-4,4-dimethylpentyl)amino]benzenesulfonamide
PubChem CID107159038
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC Name2-[(2-amino-4,4-dimethylpentyl)amino]benzenesulfonamide
SMILESCC(C)(C)CC(N)CNc1ccccc1S(N)(=O)=O
InChIInChI=1S/C13H23N3O2S/c1-13(2,3)8-10(14)9-16-11-6-4-5-7-12(11)19(15,17)18/h4-7,10,16H,8-9,14H2,1-3H3,(H2,15,17,18)
InChIKeyRHDDBKJBLDGFLK-UHFFFAOYSA-N
XLogP1.51
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4,4-dimethyl-1-N-(2-propylsulfonylphenyl)pentane-1,2-diamine
CID 107159216
2-(2,2-dimethylpropylamino)benzenesulfonamide
CID 61166662
2-(2,2-difluoroethylamino)benzenesulfonamide
CID 115407559
2-(2-methylbutylamino)benzenesulfonamide
CID 62692672
2-hydroxy-3-(2-sulfamoylanilino)propanamide
CID 106170840
3-methyl-4-(2-sulfamoylanilino)butanoic acid
CID 81065364
2-(2,3-dimethoxypropylamino)benzenesulfonamide
CID 114100732
2-(3-methylbutylamino)benzenesulfonamide
CID 43454227
4-methyl-1-N-(2-methylsulfonylphenyl)pentane-1,2-diamine
CID 107159362
2-[(3-hydroxy-2,2-dimethylpropyl)amino]benzenesulfonamide
CID 115360899
2-(2,2,3,3-tetrafluoropropylamino)benzenesulfonamide
CID 106293975
2-[(3-amino-2,2-difluoropropyl)amino]benzenesulfonamide
CID 114384513

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-4,4-dimethylpentyl)amino]benzenesulfonamide?
The IUPAC name of 2-[(2-amino-4,4-dimethylpentyl)amino]benzenesulfonamide (CID 107159038) is 2-[(2-amino-4,4-dimethylpentyl)amino]benzenesulfonamide.
What is the SMILES notation for 2-[(2-amino-4,4-dimethylpentyl)amino]benzenesulfonamide?
The canonical SMILES for 2-[(2-amino-4,4-dimethylpentyl)amino]benzenesulfonamide is CC(C)(C)CC(N)CNc1ccccc1S(N)(=O)=O.
What is the InChIKey of 2-[(2-amino-4,4-dimethylpentyl)amino]benzenesulfonamide?
The InChIKey is RHDDBKJBLDGFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-13(2,3)8-10(14)9-16-11-6-4-5-7-12(11)19(15,17)18/h4-7,10,16H,8-9,14H2,1-3H3,(H2,15,17,18).
What are the key properties of 2-[(2-amino-4,4-dimethylpentyl)amino]benzenesulfonamide?
2-[(2-amino-4,4-dimethylpentyl)amino]benzenesulfonamide has a molecular weight of 285.41 g/mol, XLogP of 1.51, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-4,4-dimethylpentyl)amino]benzenesulfonamide is sourced from PubChem (CID 107159038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).