2,4-dichloro-5-(cyclohexylcarbamoyl)benzenesulfonyl chloride

C13H14Cl3NO3S — CID 65367352

IUPAC2,4-dichloro-5-(cyclohexylcarbamoyl)benzenesulfonyl chloride
SMILESO=C(NC1CCCCC1)c1cc(S(=O)(=O)Cl)c(Cl)cc1Cl
InChIInChI=1S/C13H14Cl3NO3S/c14-10-7-11(15)12(21(16,19)20)6-9(10)13(18)17-8-4-2-1-3-5-8/h6-8H,1-5H2,(H,17,18)
InChIKeyQEVDTXAEDIRGHL-UHFFFAOYSA-N
MW370.69 g/mol
LogP3.98
Rot. Bonds3

About 2,4-dichloro-5-(cyclohexylcarbamoyl)benzenesulfonyl chloride

2,4-dichloro-5-(cyclohexylcarbamoyl)benzenesulfonyl chloride (PubChem CID 65367352) has the molecular formula C13H14Cl3NO3S and a molecular weight of 370.69 g/mol. Its IUPAC name is 2,4-dichloro-5-(cyclohexylcarbamoyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name2,4-dichloro-5-(cyclohexylcarbamoyl)benzenesulfonyl chloride
PubChem CID65367352
Molecular FormulaC13H14Cl3NO3S
Molecular Weight370.69 g/mol
Exact Mass368.98
IUPAC Name2,4-dichloro-5-(cyclohexylcarbamoyl)benzenesulfonyl chloride
SMILESO=C(NC1CCCCC1)c1cc(S(=O)(=O)Cl)c(Cl)cc1Cl
InChIInChI=1S/C13H14Cl3NO3S/c14-10-7-11(15)12(21(16,19)20)6-9(10)13(18)17-8-4-2-1-3-5-8/h6-8H,1-5H2,(H,17,18)
InChIKeyQEVDTXAEDIRGHL-UHFFFAOYSA-N
XLogP3.98
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.69
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,4-dichloro-5-(cyclohexylcarbamoyl)benzenesulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5-dichloro-3-(cyclohexylcarbamoyl)benzenesulfonyl chloride
CID 65367156
4-chloro-3-(cyclopentylcarbamoyl)benzenesulfonyl chloride
CID 65368103
4,5-dichloro-1-N,2-N-dicyclohexylbenzene-1,2-dicarboxamide
CID 23880547
3-(cyclohexylcarbamoyl)-2,5-difluorobenzenesulfonyl chloride
CID 65366757
4-chloro-2-fluoro-5-(oxan-4-ylcarbamoyl)benzenesulfonyl chloride
CID 65371146
2-chloro-4-fluoro-5-(oxan-4-ylcarbamoyl)benzenesulfonyl chloride
CID 65372295
2-bromo-5-(cyclopentylcarbamoyl)-4-fluorobenzenesulfonyl chloride
CID 65367755
4-chloro-N-cyclohexyl-2-cyclohexylsulfonyl-5-sulfamoylbenzamide
CID 126508892
2,4-dichloro-3-(cyclohexylcarbamoyl)benzenesulfonyl chloride
CID 65366806
2-bromo-3-chloro-5-(cyclopentylcarbamoyl)benzenesulfonyl chloride
CID 81294951
2-chloro-N-cyclohexyl-5-(2-fluoropropan-2-yl)benzamide
CID 167056111
2-chloro-N-cyclohexyl-5-(propan-2-ylsulfamoyl)benzamide
CID 51160947

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-(cyclohexylcarbamoyl)benzenesulfonyl chloride?
The IUPAC name of 2,4-dichloro-5-(cyclohexylcarbamoyl)benzenesulfonyl chloride (CID 65367352) is 2,4-dichloro-5-(cyclohexylcarbamoyl)benzenesulfonyl chloride.
What is the SMILES notation for 2,4-dichloro-5-(cyclohexylcarbamoyl)benzenesulfonyl chloride?
The canonical SMILES for 2,4-dichloro-5-(cyclohexylcarbamoyl)benzenesulfonyl chloride is O=C(NC1CCCCC1)c1cc(S(=O)(=O)Cl)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-(cyclohexylcarbamoyl)benzenesulfonyl chloride?
The InChIKey is QEVDTXAEDIRGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl3NO3S/c14-10-7-11(15)12(21(16,19)20)6-9(10)13(18)17-8-4-2-1-3-5-8/h6-8H,1-5H2,(H,17,18).
What are the key properties of 2,4-dichloro-5-(cyclohexylcarbamoyl)benzenesulfonyl chloride?
2,4-dichloro-5-(cyclohexylcarbamoyl)benzenesulfonyl chloride has a molecular weight of 370.69 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-(cyclohexylcarbamoyl)benzenesulfonyl chloride is sourced from PubChem (CID 65367352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).