5-(cyclopropylcarbamoyl)-2,3-dimethylbenzenesulfonyl chloride

C12H14ClNO3S — CID 65367549

IUPAC5-(cyclopropylcarbamoyl)-2,3-dimethylbenzenesulfonyl chloride
SMILESCc1cc(C(=O)NC2CC2)cc(S(=O)(=O)Cl)c1C
InChIInChI=1S/C12H14ClNO3S/c1-7-5-9(12(15)14-10-3-4-10)6-11(8(7)2)18(13,16)17/h5-6,10H,3-4H2,1-2H3,(H,14,15)
InChIKeyRIGLPKZOIOCXQD-UHFFFAOYSA-N
MW287.77 g/mol
LogP2.12
Rot. Bonds3

About 5-(cyclopropylcarbamoyl)-2,3-dimethylbenzenesulfonyl chloride

5-(cyclopropylcarbamoyl)-2,3-dimethylbenzenesulfonyl chloride (PubChem CID 65367549) has the molecular formula C12H14ClNO3S and a molecular weight of 287.77 g/mol. Its IUPAC name is 5-(cyclopropylcarbamoyl)-2,3-dimethylbenzenesulfonyl chloride.

Molecular Properties

Compound Name5-(cyclopropylcarbamoyl)-2,3-dimethylbenzenesulfonyl chloride
PubChem CID65367549
Molecular FormulaC12H14ClNO3S
Molecular Weight287.77 g/mol
Exact Mass287.04
IUPAC Name5-(cyclopropylcarbamoyl)-2,3-dimethylbenzenesulfonyl chloride
SMILESCc1cc(C(=O)NC2CC2)cc(S(=O)(=O)Cl)c1C
InChIInChI=1S/C12H14ClNO3S/c1-7-5-9(12(15)14-10-3-4-10)6-11(8(7)2)18(13,16)17/h5-6,10H,3-4H2,1-2H3,(H,14,15)
InChIKeyRIGLPKZOIOCXQD-UHFFFAOYSA-N
XLogP2.12
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.77
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(cyclohexylcarbamoyl)-2,3-dimethylbenzenesulfonyl chloride
CID 65367157
2,3-dimethyl-5-(oxolan-3-ylcarbamoyl)benzenesulfonyl chloride
CID 80716250
2,3-dichloro-5-(cyclopropylcarbamoyl)benzenesulfonyl chloride
CID 65368290
3-fluoro-2-methyl-5-(oxan-4-ylcarbamoyl)benzenesulfonyl chloride
CID 65370571
3-bromo-N-cyclopropyl-4,5-dimethylbenzamide
CID 18457798
2,3-dimethyl-5-(2-methylsulfonylethylcarbamoyl)benzenesulfonyl chloride
CID 65370576
5-carbamoyl-2,3-dimethylbenzenesulfonyl chloride
CID 65368231
2-bromo-3-chloro-5-(cyclopentylcarbamoyl)benzenesulfonyl chloride
CID 81294951
3-(cyclobutylcarbamoyl)-5-fluoro-2-methylbenzenesulfonyl chloride
CID 65397012
3-[[3-(cyclopropylcarbamoyl)phenyl]sulfamoyl]-4,5-dimethylbenzoic acid
CID 22109123
5-(cyclohexylcarbamoyl)-2-ethylbenzenesulfonyl chloride
CID 65367205
N-(3-methoxycyclobutyl)-3,4-dimethyl-5-sulfamoylbenzamide
CID 104581692

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylcarbamoyl)-2,3-dimethylbenzenesulfonyl chloride?
The IUPAC name of 5-(cyclopropylcarbamoyl)-2,3-dimethylbenzenesulfonyl chloride (CID 65367549) is 5-(cyclopropylcarbamoyl)-2,3-dimethylbenzenesulfonyl chloride.
What is the SMILES notation for 5-(cyclopropylcarbamoyl)-2,3-dimethylbenzenesulfonyl chloride?
The canonical SMILES for 5-(cyclopropylcarbamoyl)-2,3-dimethylbenzenesulfonyl chloride is Cc1cc(C(=O)NC2CC2)cc(S(=O)(=O)Cl)c1C.
What is the InChIKey of 5-(cyclopropylcarbamoyl)-2,3-dimethylbenzenesulfonyl chloride?
The InChIKey is RIGLPKZOIOCXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO3S/c1-7-5-9(12(15)14-10-3-4-10)6-11(8(7)2)18(13,16)17/h5-6,10H,3-4H2,1-2H3,(H,14,15).
What are the key properties of 5-(cyclopropylcarbamoyl)-2,3-dimethylbenzenesulfonyl chloride?
5-(cyclopropylcarbamoyl)-2,3-dimethylbenzenesulfonyl chloride has a molecular weight of 287.77 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylcarbamoyl)-2,3-dimethylbenzenesulfonyl chloride is sourced from PubChem (CID 65367549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).