5-amino-N-butyl-2-chloro-N-methylbenzenesulfonamide

C11H17ClN2O2S — CID 29290326

IUPAC5-amino-N-butyl-2-chloro-N-methylbenzenesulfonamide
SMILESCCCCN(C)S(=O)(=O)c1cc(N)ccc1Cl
InChIInChI=1S/C11H17ClN2O2S/c1-3-4-7-14(2)17(15,16)11-8-9(13)5-6-10(11)12/h5-6,8H,3-4,7,13H2,1-2H3
InChIKeyMILVAFZYIBOYAO-UHFFFAOYSA-N
MW276.79 g/mol
LogP2.34
Rot. Bonds5

About 5-amino-N-butyl-2-chloro-N-methylbenzenesulfonamide

5-amino-N-butyl-2-chloro-N-methylbenzenesulfonamide (PubChem CID 29290326) has the molecular formula C11H17ClN2O2S and a molecular weight of 276.79 g/mol. Its IUPAC name is 5-amino-N-butyl-2-chloro-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-butyl-2-chloro-N-methylbenzenesulfonamide
PubChem CID29290326
Molecular FormulaC11H17ClN2O2S
Molecular Weight276.79 g/mol
Exact Mass276.07
IUPAC Name5-amino-N-butyl-2-chloro-N-methylbenzenesulfonamide
SMILESCCCCN(C)S(=O)(=O)c1cc(N)ccc1Cl
InChIInChI=1S/C11H17ClN2O2S/c1-3-4-7-14(2)17(15,16)11-8-9(13)5-6-10(11)12/h5-6,8H,3-4,7,13H2,1-2H3
InChIKeyMILVAFZYIBOYAO-UHFFFAOYSA-N
XLogP2.34
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.79
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-butyl-N,2-dimethylbenzenesulfonamide
CID 43258018
5-amino-2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 60892304
methyl 3-[(5-amino-2-chlorophenyl)sulfonyl-methylamino]propanoate
CID 54997716
4-amino-2-chloro-N-(3-methoxypropyl)-N-methylbenzenesulfonamide
CID 62985193
N-butyl-4-chloro-2-fluoro-N-methylbenzenesulfonamide
CID 78786983
4-chloro-3-[methyl(propyl)sulfamoyl]benzoic acid
CID 43271122
4-amino-N-butyl-2-chloro-N-(2-hydroxyethyl)benzenesulfonamide
CID 61111272
5-amino-2-chloro-N-(4-ethylcyclohexyl)-N-methylbenzenesulfonamide
CID 61125255
N-(3-aminopropyl)-2-chloro-N-methyl-5-(trifluoromethyl)benzenesulfonamide
CID 115319032
5-amino-2-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzenesulfonamide
CID 61115628
5-amino-2-chloro-N-(1-ethylpiperidin-4-yl)-N-methylbenzenesulfonamide
CID 43576335
4-[(2,5-dichlorophenyl)sulfonyl-methylamino]butanoic acid
CID 43235943

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-butyl-2-chloro-N-methylbenzenesulfonamide?
The IUPAC name of 5-amino-N-butyl-2-chloro-N-methylbenzenesulfonamide (CID 29290326) is 5-amino-N-butyl-2-chloro-N-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N-butyl-2-chloro-N-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-N-butyl-2-chloro-N-methylbenzenesulfonamide is CCCCN(C)S(=O)(=O)c1cc(N)ccc1Cl.
What is the InChIKey of 5-amino-N-butyl-2-chloro-N-methylbenzenesulfonamide?
The InChIKey is MILVAFZYIBOYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O2S/c1-3-4-7-14(2)17(15,16)11-8-9(13)5-6-10(11)12/h5-6,8H,3-4,7,13H2,1-2H3.
What are the key properties of 5-amino-N-butyl-2-chloro-N-methylbenzenesulfonamide?
5-amino-N-butyl-2-chloro-N-methylbenzenesulfonamide has a molecular weight of 276.79 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-butyl-2-chloro-N-methylbenzenesulfonamide is sourced from PubChem (CID 29290326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).