5-bromo-2-chloro-3-(1-cyclopropylethylcarbamoyl)benzenesulfonyl chloride

C12H12BrCl2NO3S — CID 65372670

IUPAC5-bromo-2-chloro-3-(1-cyclopropylethylcarbamoyl)benzenesulfonyl chloride
SMILESCC(NC(=O)c1cc(Br)cc(S(=O)(=O)Cl)c1Cl)C1CC1
InChIInChI=1S/C12H12BrCl2NO3S/c1-6(7-2-3-7)16-12(17)9-4-8(13)5-10(11(9)14)20(15,18)19/h4-7H,2-3H2,1H3,(H,16,17)
InChIKeyZUTSNTQOQVKYGL-UHFFFAOYSA-N
MW401.11 g/mol
LogP3.56
Rot. Bonds4

About 5-bromo-2-chloro-3-(1-cyclopropylethylcarbamoyl)benzenesulfonyl chloride

5-bromo-2-chloro-3-(1-cyclopropylethylcarbamoyl)benzenesulfonyl chloride (PubChem CID 65372670) has the molecular formula C12H12BrCl2NO3S and a molecular weight of 401.11 g/mol. Its IUPAC name is 5-bromo-2-chloro-3-(1-cyclopropylethylcarbamoyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name5-bromo-2-chloro-3-(1-cyclopropylethylcarbamoyl)benzenesulfonyl chloride
PubChem CID65372670
Molecular FormulaC12H12BrCl2NO3S
Molecular Weight401.11 g/mol
Exact Mass398.91
IUPAC Name5-bromo-2-chloro-3-(1-cyclopropylethylcarbamoyl)benzenesulfonyl chloride
SMILESCC(NC(=O)c1cc(Br)cc(S(=O)(=O)Cl)c1Cl)C1CC1
InChIInChI=1S/C12H12BrCl2NO3S/c1-6(7-2-3-7)16-12(17)9-4-8(13)5-10(11(9)14)20(15,18)19/h4-7H,2-3H2,1H3,(H,16,17)
InChIKeyZUTSNTQOQVKYGL-UHFFFAOYSA-N
XLogP3.56
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.11
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-3-(1-cyclopropylethylcarbamoyl)-5-fluorobenzenesulfonyl chloride
CID 65370561
5-chloro-3-(1-cyclopropylethylcarbamoyl)-2-methylbenzenesulfonyl chloride
CID 82890365
2-amino-3,5-dibromo-N-(1-cyclopropylethyl)benzamide
CID 89420130
3-bromo-5-(1-cyclopropylethylcarbamoyl)-2-methylbenzenesulfonyl chloride
CID 81488328
5-bromo-2-chloro-3-[(2-methyloxolan-3-yl)carbamoyl]benzenesulfonyl chloride
CID 82731630
2-chloro-5-(1-cyclopropylethylcarbamoyl)benzenesulfonyl chloride
CID 65370751
5-bromo-N-(1-cyclopropylethyl)-2-methylbenzamide
CID 65306796
5-bromo-2-methyl-3-(propan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 65368840
5-bromo-N-(1-cyclopropylethyl)-2-iodobenzamide
CID 47113790
5-bromo-3-(butylcarbamoyl)-2-chlorobenzenesulfonyl chloride
CID 65367692
5-bromo-N-butan-2-yl-2-chloro-3-sulfamoylbenzamide
CID 65373817
5-(1-cyclopropylethylcarbamoyl)-2-fluorobenzenesulfonyl chloride
CID 65373055

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-3-(1-cyclopropylethylcarbamoyl)benzenesulfonyl chloride?
The IUPAC name of 5-bromo-2-chloro-3-(1-cyclopropylethylcarbamoyl)benzenesulfonyl chloride (CID 65372670) is 5-bromo-2-chloro-3-(1-cyclopropylethylcarbamoyl)benzenesulfonyl chloride.
What is the SMILES notation for 5-bromo-2-chloro-3-(1-cyclopropylethylcarbamoyl)benzenesulfonyl chloride?
The canonical SMILES for 5-bromo-2-chloro-3-(1-cyclopropylethylcarbamoyl)benzenesulfonyl chloride is CC(NC(=O)c1cc(Br)cc(S(=O)(=O)Cl)c1Cl)C1CC1.
What is the InChIKey of 5-bromo-2-chloro-3-(1-cyclopropylethylcarbamoyl)benzenesulfonyl chloride?
The InChIKey is ZUTSNTQOQVKYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrCl2NO3S/c1-6(7-2-3-7)16-12(17)9-4-8(13)5-10(11(9)14)20(15,18)19/h4-7H,2-3H2,1H3,(H,16,17).
What are the key properties of 5-bromo-2-chloro-3-(1-cyclopropylethylcarbamoyl)benzenesulfonyl chloride?
5-bromo-2-chloro-3-(1-cyclopropylethylcarbamoyl)benzenesulfonyl chloride has a molecular weight of 401.11 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-3-(1-cyclopropylethylcarbamoyl)benzenesulfonyl chloride is sourced from PubChem (CID 65372670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).