2-(hexan-3-ylamino)-N-propan-2-ylbenzenesulfonamide

C15H26N2O2S — CID 62119141

IUPAC2-(hexan-3-ylamino)-N-propan-2-ylbenzenesulfonamide
SMILESCCCC(CC)Nc1ccccc1S(=O)(=O)NC(C)C
InChIInChI=1S/C15H26N2O2S/c1-5-9-13(6-2)16-14-10-7-8-11-15(14)20(18,19)17-12(3)4/h7-8,10-13,16-17H,5-6,9H2,1-4H3
InChIKeyOUBSORIAZBSUET-UHFFFAOYSA-N
MW298.45 g/mol
LogP3.36
Rot. Bonds8

About 2-(hexan-3-ylamino)-N-propan-2-ylbenzenesulfonamide

2-(hexan-3-ylamino)-N-propan-2-ylbenzenesulfonamide (PubChem CID 62119141) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is 2-(hexan-3-ylamino)-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-(hexan-3-ylamino)-N-propan-2-ylbenzenesulfonamide
PubChem CID62119141
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC Name2-(hexan-3-ylamino)-N-propan-2-ylbenzenesulfonamide
SMILESCCCC(CC)Nc1ccccc1S(=O)(=O)NC(C)C
InChIInChI=1S/C15H26N2O2S/c1-5-9-13(6-2)16-14-10-7-8-11-15(14)20(18,19)17-12(3)4/h7-8,10-13,16-17H,5-6,9H2,1-4H3
InChIKeyOUBSORIAZBSUET-UHFFFAOYSA-N
XLogP3.36
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(hexan-3-ylamino)-N-propan-2-ylbenzenesulfonamide 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-(pentan-3-ylamino)-N-propan-2-ylbenzenesulfonamide
CID 43454588
2-(hexan-3-ylamino)-N-methylbenzenesulfonamide
CID 62119321
2-(hexan-3-ylamino)-N,N-dimethylbenzenesulfonamide
CID 62119140
2-(pent-1-yn-3-ylamino)-N-propan-2-ylbenzenesulfonamide
CID 106231135
N-hexan-3-yl-2-hydrazinylbenzenesulfonamide
CID 62117288
2-(dicyclopropylmethylamino)-N-propan-2-ylbenzenesulfonamide
CID 61482608
N-propan-2-yl-2-[2-(propan-2-ylamino)ethylamino]benzenesulfonamide
CID 62663937
2-(2,2-difluoroethylamino)-N-propan-2-ylbenzenesulfonamide
CID 113303827
2-(2-chloropentyl)-N-propan-2-ylbenzenesulfonamide
CID 63202897
N-methyl-2-(3-methylpentan-2-ylamino)benzenesulfonamide
CID 43749839
2-chloro-N-hexan-3-ylaniline
CID 91251146
N-(5-methylheptan-3-yl)-2-methylsulfonylaniline
CID 43724656

Frequently Asked Questions

What is the IUPAC name of 2-(hexan-3-ylamino)-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 2-(hexan-3-ylamino)-N-propan-2-ylbenzenesulfonamide (CID 62119141) is 2-(hexan-3-ylamino)-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 2-(hexan-3-ylamino)-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 2-(hexan-3-ylamino)-N-propan-2-ylbenzenesulfonamide is CCCC(CC)Nc1ccccc1S(=O)(=O)NC(C)C.
What is the InChIKey of 2-(hexan-3-ylamino)-N-propan-2-ylbenzenesulfonamide?
The InChIKey is OUBSORIAZBSUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-5-9-13(6-2)16-14-10-7-8-11-15(14)20(18,19)17-12(3)4/h7-8,10-13,16-17H,5-6,9H2,1-4H3.
What are the key properties of 2-(hexan-3-ylamino)-N-propan-2-ylbenzenesulfonamide?
2-(hexan-3-ylamino)-N-propan-2-ylbenzenesulfonamide has a molecular weight of 298.45 g/mol, XLogP of 3.36, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hexan-3-ylamino)-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 62119141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).