2,5-dichloro-3-(2,3-dimethylbutylcarbamoyl)benzenesulfonyl chloride

C13H16Cl3NO3S — CID 65396321

IUPAC2,5-dichloro-3-(2,3-dimethylbutylcarbamoyl)benzenesulfonyl chloride
SMILESCC(C)C(C)CNC(=O)c1cc(Cl)cc(S(=O)(=O)Cl)c1Cl
InChIInChI=1S/C13H16Cl3NO3S/c1-7(2)8(3)6-17-13(18)10-4-9(14)5-11(12(10)15)21(16,19)20/h4-5,7-8H,6H2,1-3H3,(H,17,18)
InChIKeyQWZFRTBWYVIPSK-UHFFFAOYSA-N
MW372.70 g/mol
LogP3.94
Rot. Bonds5

About 2,5-dichloro-3-(2,3-dimethylbutylcarbamoyl)benzenesulfonyl chloride

2,5-dichloro-3-(2,3-dimethylbutylcarbamoyl)benzenesulfonyl chloride (PubChem CID 65396321) has the molecular formula C13H16Cl3NO3S and a molecular weight of 372.70 g/mol. Its IUPAC name is 2,5-dichloro-3-(2,3-dimethylbutylcarbamoyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name2,5-dichloro-3-(2,3-dimethylbutylcarbamoyl)benzenesulfonyl chloride
PubChem CID65396321
Molecular FormulaC13H16Cl3NO3S
Molecular Weight372.70 g/mol
Exact Mass370.99
IUPAC Name2,5-dichloro-3-(2,3-dimethylbutylcarbamoyl)benzenesulfonyl chloride
SMILESCC(C)C(C)CNC(=O)c1cc(Cl)cc(S(=O)(=O)Cl)c1Cl
InChIInChI=1S/C13H16Cl3NO3S/c1-7(2)8(3)6-17-13(18)10-4-9(14)5-11(12(10)15)21(16,19)20/h4-5,7-8H,6H2,1-3H3,(H,17,18)
InChIKeyQWZFRTBWYVIPSK-UHFFFAOYSA-N
XLogP3.94
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.70
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(2,3-dimethylbutyl)-2-methyl-3-sulfamoylbenzamide
CID 82879168
4-chloro-3-(2,3-dimethylbutylcarbamoyl)-5-fluorobenzenesulfonyl chloride
CID 81454208
2,5-dichloro-3-[(2-methylcyclopropyl)methylcarbamoyl]benzenesulfonyl chloride
CID 113464233
5-bromo-3-(2,3-dimethylbutylcarbamoyl)-2-methylbenzenesulfonyl chloride
CID 65396511
methyl 2,5-dichloro-3-chlorosulfonylbenzoate
CID 43436756
ethyl 2,5-dichloro-3-chlorosulfonylbenzoate
CID 43436811
5-(2,3-dimethylbutylcarbamoyl)-2-methoxybenzenesulfonyl chloride
CID 65398816
2,5-dichloro-N-(2-propan-2-yloxyethyl)-3-sulfamoylbenzamide
CID 104766713
3-bromo-5-chloro-N-(2,3-dimethylbutyl)benzamide
CID 107952489
2,5-dichloro-3-(cyclohexylcarbamoyl)benzenesulfonyl chloride
CID 65367156
5-chloro-2-fluoro-3-(propan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 65368417
5-chloro-3-(3,3-dimethylbutan-2-ylcarbamoyl)-2-fluorobenzenesulfonyl chloride
CID 104830356

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-3-(2,3-dimethylbutylcarbamoyl)benzenesulfonyl chloride?
The IUPAC name of 2,5-dichloro-3-(2,3-dimethylbutylcarbamoyl)benzenesulfonyl chloride (CID 65396321) is 2,5-dichloro-3-(2,3-dimethylbutylcarbamoyl)benzenesulfonyl chloride.
What is the SMILES notation for 2,5-dichloro-3-(2,3-dimethylbutylcarbamoyl)benzenesulfonyl chloride?
The canonical SMILES for 2,5-dichloro-3-(2,3-dimethylbutylcarbamoyl)benzenesulfonyl chloride is CC(C)C(C)CNC(=O)c1cc(Cl)cc(S(=O)(=O)Cl)c1Cl.
What is the InChIKey of 2,5-dichloro-3-(2,3-dimethylbutylcarbamoyl)benzenesulfonyl chloride?
The InChIKey is QWZFRTBWYVIPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl3NO3S/c1-7(2)8(3)6-17-13(18)10-4-9(14)5-11(12(10)15)21(16,19)20/h4-5,7-8H,6H2,1-3H3,(H,17,18).
What are the key properties of 2,5-dichloro-3-(2,3-dimethylbutylcarbamoyl)benzenesulfonyl chloride?
2,5-dichloro-3-(2,3-dimethylbutylcarbamoyl)benzenesulfonyl chloride has a molecular weight of 372.70 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-3-(2,3-dimethylbutylcarbamoyl)benzenesulfonyl chloride is sourced from PubChem (CID 65396321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).