2-(2-amino-3-methylbutyl)benzenesulfonamide

C11H18N2O2S — CID 63197534

IUPAC2-(2-amino-3-methylbutyl)benzenesulfonamide
SMILESCC(C)C(N)Cc1ccccc1S(N)(=O)=O
InChIInChI=1S/C11H18N2O2S/c1-8(2)10(12)7-9-5-3-4-6-11(9)16(13,14)15/h3-6,8,10H,7,12H2,1-2H3,(H2,13,14,15)
InChIKeyBRRAOGKLTACHDQ-UHFFFAOYSA-N
MW242.34 g/mol
LogP0.86
Rot. Bonds4

About 2-(2-amino-3-methylbutyl)benzenesulfonamide

2-(2-amino-3-methylbutyl)benzenesulfonamide (PubChem CID 63197534) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 2-(2-amino-3-methylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name2-(2-amino-3-methylbutyl)benzenesulfonamide
PubChem CID63197534
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name2-(2-amino-3-methylbutyl)benzenesulfonamide
SMILESCC(C)C(N)Cc1ccccc1S(N)(=O)=O
InChIInChI=1S/C11H18N2O2S/c1-8(2)10(12)7-9-5-3-4-6-11(9)16(13,14)15/h3-6,8,10H,7,12H2,1-2H3,(H2,13,14,15)
InChIKeyBRRAOGKLTACHDQ-UHFFFAOYSA-N
XLogP0.86
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-amino-3-methylbutyl)-N-methylbenzenesulfonamide
CID 63197585
2-(2-amino-3-methoxypropyl)benzenesulfonamide
CID 63197223
2-(2-bromobutyl)benzenesulfonamide
CID 63203633
2-[2-(ethylamino)-3,3-dimethylbutyl]benzenesulfonamide
CID 63198012
2-(2-hydroxypentyl)benzenesulfonamide
CID 63201594
1-(aminosulfonimidoyl)-2-(2-methylpropyl)benzene
CID 162446270
2-(2,3-diaminobutyl)phenol
CID 134347246
2-(2-amino-3,3-dimethylbutyl)-N-propan-2-ylbenzenesulfonamide
CID 63196503
2-[2-(dimethylamino)ethyl]benzenesulfonamide
CID 69371931
2-[2-cyclopropyl-2-(propylamino)ethyl]benzenesulfonamide
CID 63355092
2-methoxy-3-(2-methylpropyl)benzenesulfonamide
CID 141351219
2-benzylbenzenesulfonamide;methane
CID 175312349

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3-methylbutyl)benzenesulfonamide?
The IUPAC name of 2-(2-amino-3-methylbutyl)benzenesulfonamide (CID 63197534) is 2-(2-amino-3-methylbutyl)benzenesulfonamide.
What is the SMILES notation for 2-(2-amino-3-methylbutyl)benzenesulfonamide?
The canonical SMILES for 2-(2-amino-3-methylbutyl)benzenesulfonamide is CC(C)C(N)Cc1ccccc1S(N)(=O)=O.
What is the InChIKey of 2-(2-amino-3-methylbutyl)benzenesulfonamide?
The InChIKey is BRRAOGKLTACHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-8(2)10(12)7-9-5-3-4-6-11(9)16(13,14)15/h3-6,8,10H,7,12H2,1-2H3,(H2,13,14,15).
What are the key properties of 2-(2-amino-3-methylbutyl)benzenesulfonamide?
2-(2-amino-3-methylbutyl)benzenesulfonamide has a molecular weight of 242.34 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3-methylbutyl)benzenesulfonamide is sourced from PubChem (CID 63197534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).