3-chloro-N-(4-chlorobutan-2-yl)benzenesulfonamide

C10H13Cl2NO2S — CID 83180571

IUPAC3-chloro-N-(4-chlorobutan-2-yl)benzenesulfonamide
SMILESCC(CCCl)NS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C10H13Cl2NO2S/c1-8(5-6-11)13-16(14,15)10-4-2-3-9(12)7-10/h2-4,7-8,13H,5-6H2,1H3
InChIKeyZXRUSNZMUDJJIX-UHFFFAOYSA-N
MW282.19 g/mol
LogP2.64
Rot. Bonds5

About 3-chloro-N-(4-chlorobutan-2-yl)benzenesulfonamide

3-chloro-N-(4-chlorobutan-2-yl)benzenesulfonamide (PubChem CID 83180571) has the molecular formula C10H13Cl2NO2S and a molecular weight of 282.19 g/mol. Its IUPAC name is 3-chloro-N-(4-chlorobutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(4-chlorobutan-2-yl)benzenesulfonamide
PubChem CID83180571
Molecular FormulaC10H13Cl2NO2S
Molecular Weight282.19 g/mol
Exact Mass281.00
IUPAC Name3-chloro-N-(4-chlorobutan-2-yl)benzenesulfonamide
SMILESCC(CCCl)NS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C10H13Cl2NO2S/c1-8(5-6-11)13-16(14,15)10-4-2-3-9(12)7-10/h2-4,7-8,13H,5-6H2,1H3
InChIKeyZXRUSNZMUDJJIX-UHFFFAOYSA-N
XLogP2.64
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.19
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[(3-chlorophenyl)sulfonylamino]hexanoic acid
CID 82854503
N-(1-amino-3-methylbutan-2-yl)-3-chlorobenzenesulfonamide
CID 65192522
3-(5-methylhexan-2-ylsulfamoyl)benzenesulfonyl chloride
CID 63926914
N-(4-chlorobutan-2-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 83179764
3-chloro-N-[(2S)-4-(4-fluorophenyl)-4-oxobutan-2-yl]benzenesulfonamide
CID 97250225
2-[(3-chlorophenyl)sulfonylamino]pentanoic acid
CID 43631155
2-[(3-chlorophenyl)sulfonylamino]-3-methylpentanoic acid
CID 43084241
N-(2-bromopropyl)-3-chlorobenzenesulfonamide
CID 114295767
3-chloro-N-(3-chlorophenyl)sulfonylbenzenesulfonamide
CID 18537457
N-(3-chlorophenyl)sulfonyl-4-methylpentanamide
CID 47233055
N-(3-chlorophenyl)sulfonyl-2-methylpropanamide
CID 47269833
3-bromo-N-[(2S)-pentan-2-yl]benzenesulfonamide
CID 92510419

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-chlorobutan-2-yl)benzenesulfonamide?
The IUPAC name of 3-chloro-N-(4-chlorobutan-2-yl)benzenesulfonamide (CID 83180571) is 3-chloro-N-(4-chlorobutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(4-chlorobutan-2-yl)benzenesulfonamide?
The canonical SMILES for 3-chloro-N-(4-chlorobutan-2-yl)benzenesulfonamide is CC(CCCl)NS(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(4-chlorobutan-2-yl)benzenesulfonamide?
The InChIKey is ZXRUSNZMUDJJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2NO2S/c1-8(5-6-11)13-16(14,15)10-4-2-3-9(12)7-10/h2-4,7-8,13H,5-6H2,1H3.
What are the key properties of 3-chloro-N-(4-chlorobutan-2-yl)benzenesulfonamide?
3-chloro-N-(4-chlorobutan-2-yl)benzenesulfonamide has a molecular weight of 282.19 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-chlorobutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 83180571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).