5-bromo-2-chloro-3-[cyclopropyl(propyl)carbamoyl]benzenesulfonyl chloride

C13H14BrCl2NO3S — CID 65372431

IUPAC5-bromo-2-chloro-3-[cyclopropyl(propyl)carbamoyl]benzenesulfonyl chloride
SMILESCCCN(C(=O)c1cc(Br)cc(S(=O)(=O)Cl)c1Cl)C1CC1
InChIInChI=1S/C13H14BrCl2NO3S/c1-2-5-17(9-3-4-9)13(18)10-6-8(14)7-11(12(10)15)21(16,19)20/h6-7,9H,2-5H2,1H3
InChIKeyKMHKMCLQZLGKAV-UHFFFAOYSA-N
MW415.14 g/mol
LogP4.04
Rot. Bonds5

About 5-bromo-2-chloro-3-[cyclopropyl(propyl)carbamoyl]benzenesulfonyl chloride

5-bromo-2-chloro-3-[cyclopropyl(propyl)carbamoyl]benzenesulfonyl chloride (PubChem CID 65372431) has the molecular formula C13H14BrCl2NO3S and a molecular weight of 415.14 g/mol. Its IUPAC name is 5-bromo-2-chloro-3-[cyclopropyl(propyl)carbamoyl]benzenesulfonyl chloride.

Molecular Properties

Compound Name5-bromo-2-chloro-3-[cyclopropyl(propyl)carbamoyl]benzenesulfonyl chloride
PubChem CID65372431
Molecular FormulaC13H14BrCl2NO3S
Molecular Weight415.14 g/mol
Exact Mass412.93
IUPAC Name5-bromo-2-chloro-3-[cyclopropyl(propyl)carbamoyl]benzenesulfonyl chloride
SMILESCCCN(C(=O)c1cc(Br)cc(S(=O)(=O)Cl)c1Cl)C1CC1
InChIInChI=1S/C13H14BrCl2NO3S/c1-2-5-17(9-3-4-9)13(18)10-6-8(14)7-11(12(10)15)21(16,19)20/h6-7,9H,2-5H2,1H3
InChIKeyKMHKMCLQZLGKAV-UHFFFAOYSA-N
XLogP4.04
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.14
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-3-[cyclopropyl(propyl)carbamoyl]-2-methylbenzenesulfonyl chloride
CID 65370705
5-bromo-2-chloro-3-(diethylcarbamoyl)benzenesulfonyl chloride
CID 65368879
2-chloro-5-[cyclopropyl(propyl)carbamoyl]-4-fluorobenzenesulfonyl chloride
CID 65371090
5-bromo-3-(butylcarbamoyl)-2-chlorobenzenesulfonyl chloride
CID 65367692
3,4-dichloro-N-cyclopropyl-N-propyl-5-sulfamoylbenzamide
CID 65386602
4-bromo-3-chloro-N-cyclopropyl-N-propyl-5-sulfamoylbenzamide
CID 81290681
5-bromo-2-chloro-3-(1-cyclopropylethylcarbamoyl)benzenesulfonyl chloride
CID 65372670
2-bromo-N-cyclopropyl-5-methyl-N-propylbenzamide
CID 81005817
2-cyclobutylethyl 5-bromo-2-chloro-3-chlorosulfonylbenzoate
CID 106206994
2-bromo-N-cyclopropyl-5-fluoro-N-propylbenzamide
CID 43270647
5-bromo-3-[cyclopropylmethyl(ethyl)carbamoyl]-2-fluorobenzenesulfonyl chloride
CID 65396485
5-bromo-2-chloro-3-[(2-methyloxolan-3-yl)carbamoyl]benzenesulfonyl chloride
CID 82731630

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-3-[cyclopropyl(propyl)carbamoyl]benzenesulfonyl chloride?
The IUPAC name of 5-bromo-2-chloro-3-[cyclopropyl(propyl)carbamoyl]benzenesulfonyl chloride (CID 65372431) is 5-bromo-2-chloro-3-[cyclopropyl(propyl)carbamoyl]benzenesulfonyl chloride.
What is the SMILES notation for 5-bromo-2-chloro-3-[cyclopropyl(propyl)carbamoyl]benzenesulfonyl chloride?
The canonical SMILES for 5-bromo-2-chloro-3-[cyclopropyl(propyl)carbamoyl]benzenesulfonyl chloride is CCCN(C(=O)c1cc(Br)cc(S(=O)(=O)Cl)c1Cl)C1CC1.
What is the InChIKey of 5-bromo-2-chloro-3-[cyclopropyl(propyl)carbamoyl]benzenesulfonyl chloride?
The InChIKey is KMHKMCLQZLGKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrCl2NO3S/c1-2-5-17(9-3-4-9)13(18)10-6-8(14)7-11(12(10)15)21(16,19)20/h6-7,9H,2-5H2,1H3.
What are the key properties of 5-bromo-2-chloro-3-[cyclopropyl(propyl)carbamoyl]benzenesulfonyl chloride?
5-bromo-2-chloro-3-[cyclopropyl(propyl)carbamoyl]benzenesulfonyl chloride has a molecular weight of 415.14 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-3-[cyclopropyl(propyl)carbamoyl]benzenesulfonyl chloride is sourced from PubChem (CID 65372431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).