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

C10H8Cl3NO3S — CID 65368290

IUPAC2,3-dichloro-5-(cyclopropylcarbamoyl)benzenesulfonyl chloride
SMILESO=C(NC1CC1)c1cc(Cl)c(Cl)c(S(=O)(=O)Cl)c1
InChIInChI=1S/C10H8Cl3NO3S/c11-7-3-5(10(15)14-6-1-2-6)4-8(9(7)12)18(13,16)17/h3-4,6H,1-2H2,(H,14,15)
InChIKeyDFVGSVOPMWCYHR-UHFFFAOYSA-N
MW328.60 g/mol
LogP2.81
Rot. Bonds3

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

2,3-dichloro-5-(cyclopropylcarbamoyl)benzenesulfonyl chloride (PubChem CID 65368290) has the molecular formula C10H8Cl3NO3S and a molecular weight of 328.60 g/mol. Its IUPAC name is 2,3-dichloro-5-(cyclopropylcarbamoyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name2,3-dichloro-5-(cyclopropylcarbamoyl)benzenesulfonyl chloride
PubChem CID65368290
Molecular FormulaC10H8Cl3NO3S
Molecular Weight328.60 g/mol
Exact Mass326.93
IUPAC Name2,3-dichloro-5-(cyclopropylcarbamoyl)benzenesulfonyl chloride
SMILESO=C(NC1CC1)c1cc(Cl)c(Cl)c(S(=O)(=O)Cl)c1
InChIInChI=1S/C10H8Cl3NO3S/c11-7-3-5(10(15)14-6-1-2-6)4-8(9(7)12)18(13,16)17/h3-4,6H,1-2H2,(H,14,15)
InChIKeyDFVGSVOPMWCYHR-UHFFFAOYSA-N
XLogP2.81
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.60
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-3-chloro-5-(cyclopentylcarbamoyl)benzenesulfonyl chloride
CID 81294951
3,4-dichloro-N-cyclopentyl-5-sulfamoylbenzamide
CID 65375967
5-(cyclopropylcarbamoyl)-2,3-dimethylbenzenesulfonyl chloride
CID 65367549
2-chloro-5-(cyclobutylcarbamoyl)-3-nitrobenzenesulfonyl chloride
CID 65398164
5-(cyclohexylcarbamoyl)-2,3-dimethylbenzenesulfonyl chloride
CID 65367157
2,3-dichloro-5-(4-methoxybutylcarbamoyl)benzenesulfonyl chloride
CID 65397171
3-amino-4,5-dichloro-N-cyclooctylbenzamide
CID 61090105
4-chloro-N-cyclopropyl-3-(methylsulfamoyl)benzamide
CID 9165471
2,5-dichloro-3-(cyclohexylcarbamoyl)benzenesulfonyl chloride
CID 65367156
3-fluoro-2-methyl-5-(oxan-4-ylcarbamoyl)benzenesulfonyl chloride
CID 65370571
2,3,6-trichloro-N-cyclopropyl-5-sulfamoylbenzamide
CID 65375569
2,3-dichloro-5-(pentan-3-ylcarbamoyl)benzenesulfonyl chloride
CID 65372770

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-5-(cyclopropylcarbamoyl)benzenesulfonyl chloride?
The IUPAC name of 2,3-dichloro-5-(cyclopropylcarbamoyl)benzenesulfonyl chloride (CID 65368290) is 2,3-dichloro-5-(cyclopropylcarbamoyl)benzenesulfonyl chloride.
What is the SMILES notation for 2,3-dichloro-5-(cyclopropylcarbamoyl)benzenesulfonyl chloride?
The canonical SMILES for 2,3-dichloro-5-(cyclopropylcarbamoyl)benzenesulfonyl chloride is O=C(NC1CC1)c1cc(Cl)c(Cl)c(S(=O)(=O)Cl)c1.
What is the InChIKey of 2,3-dichloro-5-(cyclopropylcarbamoyl)benzenesulfonyl chloride?
The InChIKey is DFVGSVOPMWCYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl3NO3S/c11-7-3-5(10(15)14-6-1-2-6)4-8(9(7)12)18(13,16)17/h3-4,6H,1-2H2,(H,14,15).
What are the key properties of 2,3-dichloro-5-(cyclopropylcarbamoyl)benzenesulfonyl chloride?
2,3-dichloro-5-(cyclopropylcarbamoyl)benzenesulfonyl chloride has a molecular weight of 328.60 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-5-(cyclopropylcarbamoyl)benzenesulfonyl chloride is sourced from PubChem (CID 65368290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).