2-bromo-5-(cyclopropylmethylcarbamoyl)-4-fluorobenzenesulfonyl chloride

C11H10BrClFNO3S — CID 65370657

IUPAC2-bromo-5-(cyclopropylmethylcarbamoyl)-4-fluorobenzenesulfonyl chloride
SMILESO=C(NCC1CC1)c1cc(S(=O)(=O)Cl)c(Br)cc1F
InChIInChI=1S/C11H10BrClFNO3S/c12-8-4-9(14)7(3-10(8)19(13,17)18)11(16)15-5-6-1-2-6/h3-4,6H,1-2,5H2,(H,15,16)
InChIKeyPTLRGKUHAMNLRJ-UHFFFAOYSA-N
MW370.63 g/mol
LogP2.66
Rot. Bonds4

About 2-bromo-5-(cyclopropylmethylcarbamoyl)-4-fluorobenzenesulfonyl chloride

2-bromo-5-(cyclopropylmethylcarbamoyl)-4-fluorobenzenesulfonyl chloride (PubChem CID 65370657) has the molecular formula C11H10BrClFNO3S and a molecular weight of 370.63 g/mol. Its IUPAC name is 2-bromo-5-(cyclopropylmethylcarbamoyl)-4-fluorobenzenesulfonyl chloride.

Molecular Properties

Compound Name2-bromo-5-(cyclopropylmethylcarbamoyl)-4-fluorobenzenesulfonyl chloride
PubChem CID65370657
Molecular FormulaC11H10BrClFNO3S
Molecular Weight370.63 g/mol
Exact Mass368.92
IUPAC Name2-bromo-5-(cyclopropylmethylcarbamoyl)-4-fluorobenzenesulfonyl chloride
SMILESO=C(NCC1CC1)c1cc(S(=O)(=O)Cl)c(Br)cc1F
InChIInChI=1S/C11H10BrClFNO3S/c12-8-4-9(14)7(3-10(8)19(13,17)18)11(16)15-5-6-1-2-6/h3-4,6H,1-2,5H2,(H,15,16)
InChIKeyPTLRGKUHAMNLRJ-UHFFFAOYSA-N
XLogP2.66
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.63
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-(cyclopentylmethylcarbamoyl)-4-fluorobenzenesulfonyl chloride
CID 65372080
2-bromo-N-(cyclopropylmethyl)-4-fluoro-5-sulfamoylbenzamide
CID 65373693
2-bromo-4-fluoro-5-(2,2,2-trifluoroethylcarbamoyl)benzenesulfonyl chloride
CID 65370283
2-bromo-5-(cyclopentylcarbamoyl)-4-fluorobenzenesulfonyl chloride
CID 65367755
2-bromo-5-[cyclopropylmethyl(methyl)carbamoyl]-4-fluorobenzenesulfonyl chloride
CID 65371740
2-bromo-3-(cyclobutylmethylcarbamoyl)-5-fluorobenzenesulfonyl chloride
CID 65370737
2-bromo-4-fluoro-5-[(2-methylcyclopropyl)carbamoyl]benzenesulfonyl chloride
CID 65396064
2-chloro-4-fluoro-5-(oxolan-3-ylmethylcarbamoyl)benzenesulfonyl chloride
CID 65397219
methyl 4-bromo-5-chlorosulfonyl-2-fluorobenzoate
CID 43436763
4-chloro-3-(cyclopropylmethylcarbamoyl)-5-fluorobenzenesulfonyl chloride
CID 81453179
4-bromo-N-(cyclopropylmethyl)-3-fluoro-5-sulfamoylbenzamide
CID 65373308
4-bromo-N-(1-cyclopropylpropan-2-yl)-2-fluoro-5-sulfamoylbenzamide
CID 65388695

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(cyclopropylmethylcarbamoyl)-4-fluorobenzenesulfonyl chloride?
The IUPAC name of 2-bromo-5-(cyclopropylmethylcarbamoyl)-4-fluorobenzenesulfonyl chloride (CID 65370657) is 2-bromo-5-(cyclopropylmethylcarbamoyl)-4-fluorobenzenesulfonyl chloride.
What is the SMILES notation for 2-bromo-5-(cyclopropylmethylcarbamoyl)-4-fluorobenzenesulfonyl chloride?
The canonical SMILES for 2-bromo-5-(cyclopropylmethylcarbamoyl)-4-fluorobenzenesulfonyl chloride is O=C(NCC1CC1)c1cc(S(=O)(=O)Cl)c(Br)cc1F.
What is the InChIKey of 2-bromo-5-(cyclopropylmethylcarbamoyl)-4-fluorobenzenesulfonyl chloride?
The InChIKey is PTLRGKUHAMNLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClFNO3S/c12-8-4-9(14)7(3-10(8)19(13,17)18)11(16)15-5-6-1-2-6/h3-4,6H,1-2,5H2,(H,15,16).
What are the key properties of 2-bromo-5-(cyclopropylmethylcarbamoyl)-4-fluorobenzenesulfonyl chloride?
2-bromo-5-(cyclopropylmethylcarbamoyl)-4-fluorobenzenesulfonyl chloride has a molecular weight of 370.63 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(cyclopropylmethylcarbamoyl)-4-fluorobenzenesulfonyl chloride is sourced from PubChem (CID 65370657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).