2-amino-5-chloro-N-propan-2-ylbenzenesulfonamide

C9H13ClN2O2S — CID 60985820

IUPAC2-amino-5-chloro-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1cc(Cl)ccc1N
InChIInChI=1S/C9H13ClN2O2S/c1-6(2)12-15(13,14)9-5-7(10)3-4-8(9)11/h3-6,12H,11H2,1-2H3
InChIKeyAPRTUXLDPBEYLS-UHFFFAOYSA-N
MW248.73 g/mol
LogP1.61
Rot. Bonds3

About 2-amino-5-chloro-N-propan-2-ylbenzenesulfonamide

2-amino-5-chloro-N-propan-2-ylbenzenesulfonamide (PubChem CID 60985820) has the molecular formula C9H13ClN2O2S and a molecular weight of 248.73 g/mol. Its IUPAC name is 2-amino-5-chloro-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-chloro-N-propan-2-ylbenzenesulfonamide
PubChem CID60985820
Molecular FormulaC9H13ClN2O2S
Molecular Weight248.73 g/mol
Exact Mass248.04
IUPAC Name2-amino-5-chloro-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1cc(Cl)ccc1N
InChIInChI=1S/C9H13ClN2O2S/c1-6(2)12-15(13,14)9-5-7(10)3-4-8(9)11/h3-6,12H,11H2,1-2H3
InChIKeyAPRTUXLDPBEYLS-UHFFFAOYSA-N
XLogP1.61
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.73
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-chloro-N-pentan-2-ylbenzenesulfonamide
CID 54888470
2-amino-5-chloro-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 61105076
2-amino-5-chloro-N-(dicyclopropylmethyl)benzenesulfonamide
CID 61479392
2-amino-5-chloro-N-octan-2-ylbenzenesulfonamide
CID 63402410
2-amino-5-chloro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzenesulfonamide
CID 106348107
2-amino-5-chloro-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide
CID 61474983
2-amino-5-chloro-N-hex-5-yn-3-ylbenzenesulfonamide
CID 113476917
2-amino-5-chloro-N-[2-(dimethylamino)propyl]benzenesulfonamide
CID 61127626
4-amino-2,5-dichloro-N-propan-2-ylbenzenesulfonamide
CID 57320385
2-amino-5-chloro-N-(4-chlorophenyl)benzenesulfonamide
CID 54888841
2-amino-N-[1-(4-chlorophenyl)ethyl]-5-fluorobenzenesulfonamide
CID 61106700
2-amino-5-chloro-N-(2-hydroxy-4-methylpentyl)benzenesulfonamide
CID 107150851

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 2-amino-5-chloro-N-propan-2-ylbenzenesulfonamide (CID 60985820) is 2-amino-5-chloro-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 2-amino-5-chloro-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 2-amino-5-chloro-N-propan-2-ylbenzenesulfonamide is CC(C)NS(=O)(=O)c1cc(Cl)ccc1N.
What is the InChIKey of 2-amino-5-chloro-N-propan-2-ylbenzenesulfonamide?
The InChIKey is APRTUXLDPBEYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O2S/c1-6(2)12-15(13,14)9-5-7(10)3-4-8(9)11/h3-6,12H,11H2,1-2H3.
What are the key properties of 2-amino-5-chloro-N-propan-2-ylbenzenesulfonamide?
2-amino-5-chloro-N-propan-2-ylbenzenesulfonamide has a molecular weight of 248.73 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 60985820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).