4-chloro-3-(cyclopropylmethylcarbamoyl)-5-fluorobenzenesulfonyl chloride

C11H10Cl2FNO3S — CID 81453179

IUPAC4-chloro-3-(cyclopropylmethylcarbamoyl)-5-fluorobenzenesulfonyl chloride
SMILESO=C(NCC1CC1)c1cc(S(=O)(=O)Cl)cc(F)c1Cl
InChIInChI=1S/C11H10Cl2FNO3S/c12-10-8(11(16)15-5-6-1-2-6)3-7(4-9(10)14)19(13,17)18/h3-4,6H,1-2,5H2,(H,15,16)
InChIKeyGFTNGAXPOSTTHB-UHFFFAOYSA-N
MW326.18 g/mol
LogP2.55
Rot. Bonds4

About 4-chloro-3-(cyclopropylmethylcarbamoyl)-5-fluorobenzenesulfonyl chloride

4-chloro-3-(cyclopropylmethylcarbamoyl)-5-fluorobenzenesulfonyl chloride (PubChem CID 81453179) has the molecular formula C11H10Cl2FNO3S and a molecular weight of 326.18 g/mol. Its IUPAC name is 4-chloro-3-(cyclopropylmethylcarbamoyl)-5-fluorobenzenesulfonyl chloride.

Molecular Properties

Compound Name4-chloro-3-(cyclopropylmethylcarbamoyl)-5-fluorobenzenesulfonyl chloride
PubChem CID81453179
Molecular FormulaC11H10Cl2FNO3S
Molecular Weight326.18 g/mol
Exact Mass324.97
IUPAC Name4-chloro-3-(cyclopropylmethylcarbamoyl)-5-fluorobenzenesulfonyl chloride
SMILESO=C(NCC1CC1)c1cc(S(=O)(=O)Cl)cc(F)c1Cl
InChIInChI=1S/C11H10Cl2FNO3S/c12-10-8(11(16)15-5-6-1-2-6)3-7(4-9(10)14)19(13,17)18/h3-4,6H,1-2,5H2,(H,15,16)
InChIKeyGFTNGAXPOSTTHB-UHFFFAOYSA-N
XLogP2.55
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.18
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-3-fluoro-5-(3-methylbutylcarbamoyl)benzenesulfonyl chloride
CID 81454109
4-chloro-3-(2,3-dimethylbutylcarbamoyl)-5-fluorobenzenesulfonyl chloride
CID 81454208
cyclobutyl 2-chloro-5-chlorosulfonyl-3-fluorobenzoate
CID 81454114
4-chloro-3-fluoro-5-[(3-methoxy-2-methylpropyl)carbamoyl]benzenesulfonyl chloride
CID 81453450
4-chloro-3-(cyclohexylmethylcarbamoyl)benzenesulfonyl chloride
CID 65371129
2-bromo-5-(cyclopropylmethylcarbamoyl)-4-fluorobenzenesulfonyl chloride
CID 65370657
3-(cyclobutylmethylcarbamoyl)-4,5-dimethylbenzenesulfonyl chloride
CID 65370161
N-(cyclopropylmethyl)-2-fluoro-5-sulfamoylbenzamide
CID 60727294
2-chloro-5-(cyclopentylmethylcarbamoyl)-4-fluorobenzenesulfonyl chloride
CID 65372080
propan-2-yl 2-chloro-5-chlorosulfonyl-3-fluorobenzoate
CID 81454558
2-chloro-5-(cyclopropylmethylsulfonyl)-3-fluorobenzoic acid
CID 81461957
5-chloro-2-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzamide
CID 114146514

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(cyclopropylmethylcarbamoyl)-5-fluorobenzenesulfonyl chloride?
The IUPAC name of 4-chloro-3-(cyclopropylmethylcarbamoyl)-5-fluorobenzenesulfonyl chloride (CID 81453179) is 4-chloro-3-(cyclopropylmethylcarbamoyl)-5-fluorobenzenesulfonyl chloride.
What is the SMILES notation for 4-chloro-3-(cyclopropylmethylcarbamoyl)-5-fluorobenzenesulfonyl chloride?
The canonical SMILES for 4-chloro-3-(cyclopropylmethylcarbamoyl)-5-fluorobenzenesulfonyl chloride is O=C(NCC1CC1)c1cc(S(=O)(=O)Cl)cc(F)c1Cl.
What is the InChIKey of 4-chloro-3-(cyclopropylmethylcarbamoyl)-5-fluorobenzenesulfonyl chloride?
The InChIKey is GFTNGAXPOSTTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2FNO3S/c12-10-8(11(16)15-5-6-1-2-6)3-7(4-9(10)14)19(13,17)18/h3-4,6H,1-2,5H2,(H,15,16).
What are the key properties of 4-chloro-3-(cyclopropylmethylcarbamoyl)-5-fluorobenzenesulfonyl chloride?
4-chloro-3-(cyclopropylmethylcarbamoyl)-5-fluorobenzenesulfonyl chloride has a molecular weight of 326.18 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(cyclopropylmethylcarbamoyl)-5-fluorobenzenesulfonyl chloride is sourced from PubChem (CID 81453179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).