2-(3-methylbutylamino)benzenesulfonamide

C11H18N2O2S — CID 43454227

IUPAC2-(3-methylbutylamino)benzenesulfonamide
SMILESCC(C)CCNc1ccccc1S(N)(=O)=O
InChIInChI=1S/C11H18N2O2S/c1-9(2)7-8-13-10-5-3-4-6-11(10)16(12,14)15/h3-6,9,13H,7-8H2,1-2H3,(H2,12,14,15)
InChIKeyPUEPHMUMPPLIRH-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.79
Rot. Bonds5

About 2-(3-methylbutylamino)benzenesulfonamide

2-(3-methylbutylamino)benzenesulfonamide (PubChem CID 43454227) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 2-(3-methylbutylamino)benzenesulfonamide.

Molecular Properties

Compound Name2-(3-methylbutylamino)benzenesulfonamide
PubChem CID43454227
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name2-(3-methylbutylamino)benzenesulfonamide
SMILESCC(C)CCNc1ccccc1S(N)(=O)=O
InChIInChI=1S/C11H18N2O2S/c1-9(2)7-8-13-10-5-3-4-6-11(10)16(12,14)15/h3-6,9,13H,7-8H2,1-2H3,(H2,12,14,15)
InChIKeyPUEPHMUMPPLIRH-UHFFFAOYSA-N
XLogP1.79
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylbutylsulfonylamino)benzenesulfonamide
CID 63821952
2-(2-methylbutylamino)benzenesulfonamide
CID 62692672
2-ethylsulfonyl-N-(4-methylpentyl)aniline
CID 54913636
N-(3-methylbutyl)-2-sulfamoylbenzamide
CID 43164717
2-(2,2-dimethylpropylamino)benzenesulfonamide
CID 61166662
2-(3-aminobutylamino)-N,N-dimethylbenzenesulfonamide
CID 63251442
2-(4-hydroxybutan-2-ylamino)benzenesulfonamide
CID 83188457
2-(2,2-difluoroethylamino)benzenesulfonamide
CID 115407559
2-(2-butoxyethylamino)benzenesulfonamide
CID 61169915
2-(4,4,4-trifluorobutylamino)benzenesulfonamide
CID 113327785
3-methyl-4-(2-sulfamoylanilino)butanoic acid
CID 81065364
N-ethyl-2-(4-methylpentylamino)benzenesulfonamide
CID 54913733

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutylamino)benzenesulfonamide?
The IUPAC name of 2-(3-methylbutylamino)benzenesulfonamide (CID 43454227) is 2-(3-methylbutylamino)benzenesulfonamide.
What is the SMILES notation for 2-(3-methylbutylamino)benzenesulfonamide?
The canonical SMILES for 2-(3-methylbutylamino)benzenesulfonamide is CC(C)CCNc1ccccc1S(N)(=O)=O.
What is the InChIKey of 2-(3-methylbutylamino)benzenesulfonamide?
The InChIKey is PUEPHMUMPPLIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-9(2)7-8-13-10-5-3-4-6-11(10)16(12,14)15/h3-6,9,13H,7-8H2,1-2H3,(H2,12,14,15).
What are the key properties of 2-(3-methylbutylamino)benzenesulfonamide?
2-(3-methylbutylamino)benzenesulfonamide has a molecular weight of 242.34 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutylamino)benzenesulfonamide is sourced from PubChem (CID 43454227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).