3-[(2-ethylcyclopropyl)carbamoyl]-5-fluorobenzenesulfonyl chloride

C12H13ClFNO3S — CID 114107923

IUPAC3-[(2-ethylcyclopropyl)carbamoyl]-5-fluorobenzenesulfonyl chloride
SMILESCCC1CC1NC(=O)c1cc(F)cc(S(=O)(=O)Cl)c1
InChIInChI=1S/C12H13ClFNO3S/c1-2-7-5-11(7)15-12(16)8-3-9(14)6-10(4-8)19(13,17)18/h3-4,6-7,11H,2,5H2,1H3,(H,15,16)
InChIKeyHUBTWFBSOGGYHR-UHFFFAOYSA-N
MW305.76 g/mol
LogP2.28
Rot. Bonds4

About 3-[(2-ethylcyclopropyl)carbamoyl]-5-fluorobenzenesulfonyl chloride

3-[(2-ethylcyclopropyl)carbamoyl]-5-fluorobenzenesulfonyl chloride (PubChem CID 114107923) has the molecular formula C12H13ClFNO3S and a molecular weight of 305.76 g/mol. Its IUPAC name is 3-[(2-ethylcyclopropyl)carbamoyl]-5-fluorobenzenesulfonyl chloride.

Molecular Properties

Compound Name3-[(2-ethylcyclopropyl)carbamoyl]-5-fluorobenzenesulfonyl chloride
PubChem CID114107923
Molecular FormulaC12H13ClFNO3S
Molecular Weight305.76 g/mol
Exact Mass305.03
IUPAC Name3-[(2-ethylcyclopropyl)carbamoyl]-5-fluorobenzenesulfonyl chloride
SMILESCCC1CC1NC(=O)c1cc(F)cc(S(=O)(=O)Cl)c1
InChIInChI=1S/C12H13ClFNO3S/c1-2-7-5-11(7)15-12(16)8-3-9(14)6-10(4-8)19(13,17)18/h3-4,6-7,11H,2,5H2,1H3,(H,15,16)
InChIKeyHUBTWFBSOGGYHR-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

3-fluoro-5-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]benzenesulfonyl chloride
CID 106213462
N-(2-ethylcyclopropyl)benzamide
CID 103669419
3-amino-N-(2-ethylcyclopropyl)-4-fluorobenzamide
CID 103811291
3-fluoro-5-(3-methylbut-2-enylcarbamoyl)benzenesulfonyl chloride
CID 114155874
4-bromo-3-chloro-N-(2-ethylcyclopropyl)benzamide
CID 103773539
3-(2-butoxyethylcarbamoyl)-5-fluorobenzenesulfonyl chloride
CID 65396992
3-fluoro-5-(4-methylpentylcarbamoyl)benzenesulfonyl chloride
CID 65398193
2-chloro-6-(ethylamino)-N-(2-ethylcyclopropyl)pyridine-4-carboxamide
CID 114109652
2-chloro-N-(2-ethylcyclopropyl)-6-propylpyridine-4-carboxamide
CID 114107737
3-methyl-5-[(2-methyloxolan-3-yl)carbamoyl]benzenesulfonyl chloride
CID 82737601
3-fluoro-N-(3-methoxycyclobutyl)-5-sulfamoylbenzamide
CID 104600932
N-[2-(chloromethyl)cyclohexyl]-3,5-difluorobenzamide
CID 114179554

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethylcyclopropyl)carbamoyl]-5-fluorobenzenesulfonyl chloride?
The IUPAC name of 3-[(2-ethylcyclopropyl)carbamoyl]-5-fluorobenzenesulfonyl chloride (CID 114107923) is 3-[(2-ethylcyclopropyl)carbamoyl]-5-fluorobenzenesulfonyl chloride.
What is the SMILES notation for 3-[(2-ethylcyclopropyl)carbamoyl]-5-fluorobenzenesulfonyl chloride?
The canonical SMILES for 3-[(2-ethylcyclopropyl)carbamoyl]-5-fluorobenzenesulfonyl chloride is CCC1CC1NC(=O)c1cc(F)cc(S(=O)(=O)Cl)c1.
What is the InChIKey of 3-[(2-ethylcyclopropyl)carbamoyl]-5-fluorobenzenesulfonyl chloride?
The InChIKey is HUBTWFBSOGGYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFNO3S/c1-2-7-5-11(7)15-12(16)8-3-9(14)6-10(4-8)19(13,17)18/h3-4,6-7,11H,2,5H2,1H3,(H,15,16).
What are the key properties of 3-[(2-ethylcyclopropyl)carbamoyl]-5-fluorobenzenesulfonyl chloride?
3-[(2-ethylcyclopropyl)carbamoyl]-5-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 3-[(2-ethylcyclopropyl)carbamoyl]-5-fluorobenzenesulfonyl chloride is sourced from PubChem (CID 114107923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).