5-(1-cyclopropylethylcarbamoyl)-2-fluorobenzenesulfonyl chloride

C12H13ClFNO3S — CID 65373055

IUPAC5-(1-cyclopropylethylcarbamoyl)-2-fluorobenzenesulfonyl chloride
SMILESCC(NC(=O)c1ccc(F)c(S(=O)(=O)Cl)c1)C1CC1
InChIInChI=1S/C12H13ClFNO3S/c1-7(8-2-3-8)15-12(16)9-4-5-10(14)11(6-9)19(13,17)18/h4-8H,2-3H2,1H3,(H,15,16)
InChIKeyANYPEHSADCKVHR-UHFFFAOYSA-N
MW305.76 g/mol
LogP2.28
Rot. Bonds4

About 5-(1-cyclopropylethylcarbamoyl)-2-fluorobenzenesulfonyl chloride

5-(1-cyclopropylethylcarbamoyl)-2-fluorobenzenesulfonyl chloride (PubChem CID 65373055) has the molecular formula C12H13ClFNO3S and a molecular weight of 305.76 g/mol. Its IUPAC name is 5-(1-cyclopropylethylcarbamoyl)-2-fluorobenzenesulfonyl chloride.

Molecular Properties

Compound Name5-(1-cyclopropylethylcarbamoyl)-2-fluorobenzenesulfonyl chloride
PubChem CID65373055
Molecular FormulaC12H13ClFNO3S
Molecular Weight305.76 g/mol
Exact Mass305.03
IUPAC Name5-(1-cyclopropylethylcarbamoyl)-2-fluorobenzenesulfonyl chloride
SMILESCC(NC(=O)c1ccc(F)c(S(=O)(=O)Cl)c1)C1CC1
InChIInChI=1S/C12H13ClFNO3S/c1-7(8-2-3-8)15-12(16)9-4-5-10(14)11(6-9)19(13,17)18/h4-8H,2-3H2,1H3,(H,15,16)
InChIKeyANYPEHSADCKVHR-UHFFFAOYSA-N
XLogP2.28
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1-cyclopentylethylcarbamoyl)-2-fluorobenzenesulfonyl chloride
CID 65396118
2-chloro-5-(1-cyclopropylethylcarbamoyl)benzenesulfonyl chloride
CID 65370751
5-(1-cyclopropylethylcarbamoyl)-3-fluoro-2-methoxybenzenesulfonyl chloride
CID 65370368
3-bromo-5-(1-cyclopropylethylcarbamoyl)-2-methylbenzenesulfonyl chloride
CID 81488328
2-bromo-3-(1-cyclopropylethylcarbamoyl)-5-fluorobenzenesulfonyl chloride
CID 65370561
5-chloro-3-(1-cyclopropylethylcarbamoyl)-2-methylbenzenesulfonyl chloride
CID 82890365
3-chloro-N-(1-cyclopropylethyl)-4-hydroxybenzamide
CID 42919481
4-bromo-N-(1-cyclobutylethyl)-3-fluorobenzamide
CID 115769071
4-amino-N-[(1S)-1-cyclopentylethyl]-3-fluorobenzamide
CID 81389087
3-amino-4-chloro-N-(1-cyclopropylethyl)benzamide
CID 43533105
2-methyl-5-[1-(oxolan-2-yl)ethylcarbamoyl]benzenesulfonyl chloride
CID 65371905
3,4-difluoro-N-(1-pyrrolidin-3-ylethyl)benzamide
CID 113360884

Frequently Asked Questions

What is the IUPAC name of 5-(1-cyclopropylethylcarbamoyl)-2-fluorobenzenesulfonyl chloride?
The IUPAC name of 5-(1-cyclopropylethylcarbamoyl)-2-fluorobenzenesulfonyl chloride (CID 65373055) is 5-(1-cyclopropylethylcarbamoyl)-2-fluorobenzenesulfonyl chloride.
What is the SMILES notation for 5-(1-cyclopropylethylcarbamoyl)-2-fluorobenzenesulfonyl chloride?
The canonical SMILES for 5-(1-cyclopropylethylcarbamoyl)-2-fluorobenzenesulfonyl chloride is CC(NC(=O)c1ccc(F)c(S(=O)(=O)Cl)c1)C1CC1.
What is the InChIKey of 5-(1-cyclopropylethylcarbamoyl)-2-fluorobenzenesulfonyl chloride?
The InChIKey is ANYPEHSADCKVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFNO3S/c1-7(8-2-3-8)15-12(16)9-4-5-10(14)11(6-9)19(13,17)18/h4-8H,2-3H2,1H3,(H,15,16).
What are the key properties of 5-(1-cyclopropylethylcarbamoyl)-2-fluorobenzenesulfonyl chloride?
5-(1-cyclopropylethylcarbamoyl)-2-fluorobenzenesulfonyl chloride has a molecular weight of 305.76 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-cyclopropylethylcarbamoyl)-2-fluorobenzenesulfonyl chloride is sourced from PubChem (CID 65373055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).