2-bromo-4-fluoro-5-[(2-methylcyclopropyl)carbamoyl]benzenesulfonyl chloride

C11H10BrClFNO3S — CID 65396064

IUPAC2-bromo-4-fluoro-5-[(2-methylcyclopropyl)carbamoyl]benzenesulfonyl chloride
SMILESCC1CC1NC(=O)c1cc(S(=O)(=O)Cl)c(Br)cc1F
InChIInChI=1S/C11H10BrClFNO3S/c1-5-2-9(5)15-11(16)6-3-10(19(13,17)18)7(12)4-8(6)14/h3-5,9H,2H2,1H3,(H,15,16)
InChIKeyBFHBCINLYKBDOW-UHFFFAOYSA-N
MW370.63 g/mol
LogP2.65
Rot. Bonds3

About 2-bromo-4-fluoro-5-[(2-methylcyclopropyl)carbamoyl]benzenesulfonyl chloride

2-bromo-4-fluoro-5-[(2-methylcyclopropyl)carbamoyl]benzenesulfonyl chloride (PubChem CID 65396064) has the molecular formula C11H10BrClFNO3S and a molecular weight of 370.63 g/mol. Its IUPAC name is 2-bromo-4-fluoro-5-[(2-methylcyclopropyl)carbamoyl]benzenesulfonyl chloride.

Molecular Properties

Compound Name2-bromo-4-fluoro-5-[(2-methylcyclopropyl)carbamoyl]benzenesulfonyl chloride
PubChem CID65396064
Molecular FormulaC11H10BrClFNO3S
Molecular Weight370.63 g/mol
Exact Mass368.92
IUPAC Name2-bromo-4-fluoro-5-[(2-methylcyclopropyl)carbamoyl]benzenesulfonyl chloride
SMILESCC1CC1NC(=O)c1cc(S(=O)(=O)Cl)c(Br)cc1F
InChIInChI=1S/C11H10BrClFNO3S/c1-5-2-9(5)15-11(16)6-3-10(19(13,17)18)7(12)4-8(6)14/h3-5,9H,2H2,1H3,(H,15,16)
InChIKeyBFHBCINLYKBDOW-UHFFFAOYSA-N
XLogP2.65
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.63
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-5-(cyclopentylcarbamoyl)-4-fluorobenzenesulfonyl chloride
CID 65367755
5-amino-2-bromo-4-fluoro-N-(2-methylcyclopropyl)benzamide
CID 62814400
2-bromo-5-(cyclopropylmethylcarbamoyl)-4-fluorobenzenesulfonyl chloride
CID 65370657
2-bromo-5-(3,3-dimethylbutan-2-ylcarbamoyl)-4-fluorobenzenesulfonyl chloride
CID 104830358
methyl 4-bromo-5-chlorosulfonyl-2-fluorobenzoate
CID 43436763
2-chloro-5,6-difluoro-3-[(2-methylcyclopropyl)carbamoyl]benzenesulfonyl chloride
CID 65397980
2-bromo-4-fluoro-5-(2,2,2-trifluoroethylcarbamoyl)benzenesulfonyl chloride
CID 65370283
2-bromo-5-[cyclopropylmethyl(methyl)carbamoyl]-4-fluorobenzenesulfonyl chloride
CID 65371740
5-acetamido-2-bromo-4-fluorobenzenesulfonyl chloride
CID 13488965
2,3-difluoro-N-(2-methylcyclopropyl)benzamide
CID 62661294
2-bromo-4-fluoro-5-(3-methoxypyrrolidine-1-carbonyl)benzenesulfonyl chloride
CID 103540919
3-bromo-2-chloro-N-(2-methylcyclopropyl)benzamide
CID 103989531

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-5-[(2-methylcyclopropyl)carbamoyl]benzenesulfonyl chloride?
The IUPAC name of 2-bromo-4-fluoro-5-[(2-methylcyclopropyl)carbamoyl]benzenesulfonyl chloride (CID 65396064) is 2-bromo-4-fluoro-5-[(2-methylcyclopropyl)carbamoyl]benzenesulfonyl chloride.
What is the SMILES notation for 2-bromo-4-fluoro-5-[(2-methylcyclopropyl)carbamoyl]benzenesulfonyl chloride?
The canonical SMILES for 2-bromo-4-fluoro-5-[(2-methylcyclopropyl)carbamoyl]benzenesulfonyl chloride is CC1CC1NC(=O)c1cc(S(=O)(=O)Cl)c(Br)cc1F.
What is the InChIKey of 2-bromo-4-fluoro-5-[(2-methylcyclopropyl)carbamoyl]benzenesulfonyl chloride?
The InChIKey is BFHBCINLYKBDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClFNO3S/c1-5-2-9(5)15-11(16)6-3-10(19(13,17)18)7(12)4-8(6)14/h3-5,9H,2H2,1H3,(H,15,16).
What are the key properties of 2-bromo-4-fluoro-5-[(2-methylcyclopropyl)carbamoyl]benzenesulfonyl chloride?
2-bromo-4-fluoro-5-[(2-methylcyclopropyl)carbamoyl]benzenesulfonyl chloride has a molecular weight of 370.63 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-5-[(2-methylcyclopropyl)carbamoyl]benzenesulfonyl chloride is sourced from PubChem (CID 65396064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).