2-amino-5-chloro-N-(2-cyclopropylpropyl)benzenesulfonamide

C12H17ClN2O2S — CID 113474885

IUPAC2-amino-5-chloro-N-(2-cyclopropylpropyl)benzenesulfonamide
SMILESCC(CNS(=O)(=O)c1cc(Cl)ccc1N)C1CC1
InChIInChI=1S/C12H17ClN2O2S/c1-8(9-2-3-9)7-15-18(16,17)12-6-10(13)4-5-11(12)14/h4-6,8-9,15H,2-3,7,14H2,1H3
InChIKeyNABFHYNOBHVQID-UHFFFAOYSA-N
MW288.80 g/mol
LogP2.25
Rot. Bonds5

About 2-amino-5-chloro-N-(2-cyclopropylpropyl)benzenesulfonamide

2-amino-5-chloro-N-(2-cyclopropylpropyl)benzenesulfonamide (PubChem CID 113474885) has the molecular formula C12H17ClN2O2S and a molecular weight of 288.80 g/mol. Its IUPAC name is 2-amino-5-chloro-N-(2-cyclopropylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-chloro-N-(2-cyclopropylpropyl)benzenesulfonamide
PubChem CID113474885
Molecular FormulaC12H17ClN2O2S
Molecular Weight288.80 g/mol
Exact Mass288.07
IUPAC Name2-amino-5-chloro-N-(2-cyclopropylpropyl)benzenesulfonamide
SMILESCC(CNS(=O)(=O)c1cc(Cl)ccc1N)C1CC1
InChIInChI=1S/C12H17ClN2O2S/c1-8(9-2-3-9)7-15-18(16,17)12-6-10(13)4-5-11(12)14/h4-6,8-9,15H,2-3,7,14H2,1H3
InChIKeyNABFHYNOBHVQID-UHFFFAOYSA-N
XLogP2.25
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.80
LogP ≤ 52.25
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-(dicyclopropylmethyl)benzenesulfonamide
CID 61479392
2-amino-5-chloro-N-[2-(dimethylamino)propyl]benzenesulfonamide
CID 61127626
4-amino-N-(2-cyclopropylpropyl)-2-fluorobenzenesulfonamide
CID 113474881
2-amino-5-chloro-N-(2-hydroxy-4-methylpentyl)benzenesulfonamide
CID 107150851
5-amino-4-bromo-N-(2-cyclopropylpropyl)-2-methylbenzenesulfonamide
CID 114626150
2-amino-5-chloro-N-propan-2-ylbenzenesulfonamide
CID 60985820
N-(2-amino-2-cyclopropylethyl)-2,5-dichlorobenzenesulfonamide;hydrochloride
CID 120582919
2-amino-4-chloro-N-(2,3-dimethylbutyl)benzenesulfonamide
CID 64569599
2-amino-4-chloro-N-[(2R)-2-hydroxypropyl]benzenesulfonamide
CID 107213300
5-bromo-N-(2-cyclopropylpropyl)-2-methylbenzenesulfonamide
CID 113226818
2-amino-5-chloro-N-(2-sulfamoylethyl)benzenesulfonamide
CID 54888381
2-amino-5-chloro-N-hexylbenzenesulfonamide
CID 61108372

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-N-(2-cyclopropylpropyl)benzenesulfonamide?
The IUPAC name of 2-amino-5-chloro-N-(2-cyclopropylpropyl)benzenesulfonamide (CID 113474885) is 2-amino-5-chloro-N-(2-cyclopropylpropyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-5-chloro-N-(2-cyclopropylpropyl)benzenesulfonamide?
The canonical SMILES for 2-amino-5-chloro-N-(2-cyclopropylpropyl)benzenesulfonamide is CC(CNS(=O)(=O)c1cc(Cl)ccc1N)C1CC1.
What is the InChIKey of 2-amino-5-chloro-N-(2-cyclopropylpropyl)benzenesulfonamide?
The InChIKey is NABFHYNOBHVQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2S/c1-8(9-2-3-9)7-15-18(16,17)12-6-10(13)4-5-11(12)14/h4-6,8-9,15H,2-3,7,14H2,1H3.
What are the key properties of 2-amino-5-chloro-N-(2-cyclopropylpropyl)benzenesulfonamide?
2-amino-5-chloro-N-(2-cyclopropylpropyl)benzenesulfonamide has a molecular weight of 288.80 g/mol, XLogP of 2.25, 5 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-(2-cyclopropylpropyl)benzenesulfonamide is sourced from PubChem (CID 113474885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).