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

C13H22N2O2S — CID 62119321

IUPAC2-(hexan-3-ylamino)-N-methylbenzenesulfonamide
SMILESCCCC(CC)Nc1ccccc1S(=O)(=O)NC
InChIInChI=1S/C13H22N2O2S/c1-4-8-11(5-2)15-12-9-6-7-10-13(12)18(16,17)14-3/h6-7,9-11,14-15H,4-5,8H2,1-3H3
InChIKeyFGYIZVGPIHJDPQ-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.59
Rot. Bonds7

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

2-(hexan-3-ylamino)-N-methylbenzenesulfonamide (PubChem CID 62119321) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 2-(hexan-3-ylamino)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-(hexan-3-ylamino)-N-methylbenzenesulfonamide
PubChem CID62119321
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name2-(hexan-3-ylamino)-N-methylbenzenesulfonamide
SMILESCCCC(CC)Nc1ccccc1S(=O)(=O)NC
InChIInChI=1S/C13H22N2O2S/c1-4-8-11(5-2)15-12-9-6-7-10-13(12)18(16,17)14-3/h6-7,9-11,14-15H,4-5,8H2,1-3H3
InChIKeyFGYIZVGPIHJDPQ-UHFFFAOYSA-N
XLogP2.59
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(hexan-3-ylamino)-N-propan-2-ylbenzenesulfonamide
CID 62119141
2-(hexan-3-ylamino)-N,N-dimethylbenzenesulfonamide
CID 62119140
N-methyl-2-(3-methylpentan-2-ylamino)benzenesulfonamide
CID 43749839
N-methyl-2-(octan-2-ylamino)benzenesulfonamide
CID 43749903
2-(pentan-3-ylamino)-N-propan-2-ylbenzenesulfonamide
CID 43454588
N-hexan-3-yl-2-hydrazinylbenzenesulfonamide
CID 62117288
2-amino-4-(hexan-3-ylamino)-N-methylbenzenesulfonamide
CID 80645596
2-[[2-(methylsulfamoyl)anilino]methyl]butanoic acid
CID 65226875
2-(1-cyclohexylpropylamino)-N-methylbenzenesulfonamide
CID 62406135
2-chloro-N-hexan-3-ylaniline
CID 91251146
2-(hexan-3-ylamino)benzoic acid
CID 62230532
2-[(3-ethyl-2-hydroxypentyl)amino]-N-methylbenzenesulfonamide
CID 106287402

Frequently Asked Questions

What is the IUPAC name of 2-(hexan-3-ylamino)-N-methylbenzenesulfonamide?
The IUPAC name of 2-(hexan-3-ylamino)-N-methylbenzenesulfonamide (CID 62119321) is 2-(hexan-3-ylamino)-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-(hexan-3-ylamino)-N-methylbenzenesulfonamide?
The canonical SMILES for 2-(hexan-3-ylamino)-N-methylbenzenesulfonamide is CCCC(CC)Nc1ccccc1S(=O)(=O)NC.
What is the InChIKey of 2-(hexan-3-ylamino)-N-methylbenzenesulfonamide?
The InChIKey is FGYIZVGPIHJDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-4-8-11(5-2)15-12-9-6-7-10-13(12)18(16,17)14-3/h6-7,9-11,14-15H,4-5,8H2,1-3H3.
What are the key properties of 2-(hexan-3-ylamino)-N-methylbenzenesulfonamide?
2-(hexan-3-ylamino)-N-methylbenzenesulfonamide has a molecular weight of 270.40 g/mol, XLogP of 2.59, 7 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-methylbenzenesulfonamide is sourced from PubChem (CID 62119321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).