3-amino-N-butylbenzenesulfonamide

C10H16N2O2S — CID 5137973

IUPAC3-amino-N-butylbenzenesulfonamide
SMILESCCCCNS(=O)(=O)c1cccc(N)c1
InChIInChI=1S/C10H16N2O2S/c1-2-3-7-12-15(13,14)10-6-4-5-9(11)8-10/h4-6,8,12H,2-3,7,11H2,1H3
InChIKeyWGOUCTJBESOZIL-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.35
Rot. Bonds5

About 3-amino-N-butylbenzenesulfonamide

3-amino-N-butylbenzenesulfonamide (PubChem CID 5137973) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 3-amino-N-butylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-butylbenzenesulfonamide
PubChem CID5137973
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name3-amino-N-butylbenzenesulfonamide
SMILESCCCCNS(=O)(=O)c1cccc(N)c1
InChIInChI=1S/C10H16N2O2S/c1-2-3-7-12-15(13,14)10-6-4-5-9(11)8-10/h4-6,8,12H,2-3,7,11H2,1H3
InChIKeyWGOUCTJBESOZIL-UHFFFAOYSA-N
XLogP1.35
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

Sulfanilamide
CID 5333
2-Aminobenzenesulfonamide
CID 72894
Benzenesulfonamide, 3-amino-
CID 7377
Sulfabenz
CID 31390
3-Aminobenzenesulfonic acid
CID 8474
Benzenesulfonamide, 3-amino-N-phenyl-
CID 66454
4-amino-N,N-diethylbenzene-1-sulfonamide
CID 95067
5-amino-N,2-dimethylbenzene-1-sulfonamide
CID 235521
2-Amino-N-cyclohexyl-N-methylbenzenesulfonamide
CID 116814
4-Amino-N-hydroxybenzenesulfonamide
CID 240910
4-amino-N-methylbenzene-1-sulfonamide
CID 74368
4-(4-Methylpiperazine-1-sulfonyl)aniline
CID 567261

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-butylbenzenesulfonamide?
The IUPAC name of 3-amino-N-butylbenzenesulfonamide (CID 5137973) is 3-amino-N-butylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-butylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-butylbenzenesulfonamide is CCCCNS(=O)(=O)c1cccc(N)c1.
What is the InChIKey of 3-amino-N-butylbenzenesulfonamide?
The InChIKey is WGOUCTJBESOZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-2-3-7-12-15(13,14)10-6-4-5-9(11)8-10/h4-6,8,12H,2-3,7,11H2,1H3.
What are the key properties of 3-amino-N-butylbenzenesulfonamide?
3-amino-N-butylbenzenesulfonamide has a molecular weight of 228.32 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-butylbenzenesulfonamide is sourced from PubChem (CID 5137973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).