2-(dicyclopropylmethylcarbamoyl)-4-methylbenzenesulfonyl chloride

C15H18ClNO3S — CID 65454123

IUPAC2-(dicyclopropylmethylcarbamoyl)-4-methylbenzenesulfonyl chloride
SMILESCc1ccc(S(=O)(=O)Cl)c(C(=O)NC(C2CC2)C2CC2)c1
InChIInChI=1S/C15H18ClNO3S/c1-9-2-7-13(21(16,19)20)12(8-9)15(18)17-14(10-3-4-10)11-5-6-11/h2,7-8,10-11,14H,3-6H2,1H3,(H,17,18)
InChIKeySRPSPVNGGVYQAV-UHFFFAOYSA-N
MW327.83 g/mol
LogP2.84
Rot. Bonds5

About 2-(dicyclopropylmethylcarbamoyl)-4-methylbenzenesulfonyl chloride

2-(dicyclopropylmethylcarbamoyl)-4-methylbenzenesulfonyl chloride (PubChem CID 65454123) has the molecular formula C15H18ClNO3S and a molecular weight of 327.83 g/mol. Its IUPAC name is 2-(dicyclopropylmethylcarbamoyl)-4-methylbenzenesulfonyl chloride.

Molecular Properties

Compound Name2-(dicyclopropylmethylcarbamoyl)-4-methylbenzenesulfonyl chloride
PubChem CID65454123
Molecular FormulaC15H18ClNO3S
Molecular Weight327.83 g/mol
Exact Mass327.07
IUPAC Name2-(dicyclopropylmethylcarbamoyl)-4-methylbenzenesulfonyl chloride
SMILESCc1ccc(S(=O)(=O)Cl)c(C(=O)NC(C2CC2)C2CC2)c1
InChIInChI=1S/C15H18ClNO3S/c1-9-2-7-13(21(16,19)20)12(8-9)15(18)17-14(10-3-4-10)11-5-6-11/h2,7-8,10-11,14H,3-6H2,1H3,(H,17,18)
InChIKeySRPSPVNGGVYQAV-UHFFFAOYSA-N
XLogP2.84
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.83
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(dicyclopropylmethyl)-5-methyl-2-(methylamino)benzamide
CID 62509943
4-methyl-2-(2-methylpentan-3-ylcarbamoyl)benzenesulfonyl chloride
CID 65453932
N-(dicyclopropylmethyl)-5-methyl-2-(propylamino)benzamide
CID 62510099
5-chloro-3-(1-cyclopropylethylcarbamoyl)-2-methylbenzenesulfonyl chloride
CID 82890365
5-bromo-2-chloro-3-(1-cyclopropylethylcarbamoyl)benzenesulfonyl chloride
CID 65372670
4-methyl-2-(pyrrolidine-1-carbonyl)benzenesulfonyl chloride
CID 65454308
N-(dicyclopropylmethyl)-2-sulfamoylbenzamide
CID 61480528
N-(dicyclopropylmethyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 24620701
2-(azepane-1-carbonyl)-4-methylbenzenesulfonyl chloride
CID 65454498
N-(dicyclopropylmethyl)-2-(2-fluoro-4-methylanilino)acetamide
CID 29457118
2-bromo-3-(1-cyclopropylethylcarbamoyl)-5-fluorobenzenesulfonyl chloride
CID 65370561
2-chloro-5-(1-cyclopropylethylcarbamoyl)benzenesulfonyl chloride
CID 65370751

Frequently Asked Questions

What is the IUPAC name of 2-(dicyclopropylmethylcarbamoyl)-4-methylbenzenesulfonyl chloride?
The IUPAC name of 2-(dicyclopropylmethylcarbamoyl)-4-methylbenzenesulfonyl chloride (CID 65454123) is 2-(dicyclopropylmethylcarbamoyl)-4-methylbenzenesulfonyl chloride.
What is the SMILES notation for 2-(dicyclopropylmethylcarbamoyl)-4-methylbenzenesulfonyl chloride?
The canonical SMILES for 2-(dicyclopropylmethylcarbamoyl)-4-methylbenzenesulfonyl chloride is Cc1ccc(S(=O)(=O)Cl)c(C(=O)NC(C2CC2)C2CC2)c1.
What is the InChIKey of 2-(dicyclopropylmethylcarbamoyl)-4-methylbenzenesulfonyl chloride?
The InChIKey is SRPSPVNGGVYQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO3S/c1-9-2-7-13(21(16,19)20)12(8-9)15(18)17-14(10-3-4-10)11-5-6-11/h2,7-8,10-11,14H,3-6H2,1H3,(H,17,18).
What are the key properties of 2-(dicyclopropylmethylcarbamoyl)-4-methylbenzenesulfonyl chloride?
2-(dicyclopropylmethylcarbamoyl)-4-methylbenzenesulfonyl chloride has a molecular weight of 327.83 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dicyclopropylmethylcarbamoyl)-4-methylbenzenesulfonyl chloride is sourced from PubChem (CID 65454123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).