fluoromethyl 4-chloro-2-[2-(furan-2-yl)ethyl]-5-sulfamoylbenzoate

C14H13ClFNO5S — CID 158900963

IUPACfluoromethyl 4-chloro-2-[2-(furan-2-yl)ethyl]-5-sulfamoylbenzoate
SMILESNS(=O)(=O)c1cc(C(=O)OCF)c(CCc2ccco2)cc1Cl
InChIInChI=1S/C14H13ClFNO5S/c15-12-6-9(3-4-10-2-1-5-21-10)11(14(18)22-8-16)7-13(12)23(17,19)20/h1-2,5-7H,3-4,8H2,(H2,17,19,20)
InChIKeyJFKZKVBNFUVMLV-UHFFFAOYSA-N
MW361.78 g/mol
LogP2.45
Rot. Bonds6

About fluoromethyl 4-chloro-2-[2-(furan-2-yl)ethyl]-5-sulfamoylbenzoate

fluoromethyl 4-chloro-2-[2-(furan-2-yl)ethyl]-5-sulfamoylbenzoate (PubChem CID 158900963) has the molecular formula C14H13ClFNO5S and a molecular weight of 361.78 g/mol. Its IUPAC name is fluoromethyl 4-chloro-2-[2-(furan-2-yl)ethyl]-5-sulfamoylbenzoate.

Molecular Properties

Compound Namefluoromethyl 4-chloro-2-[2-(furan-2-yl)ethyl]-5-sulfamoylbenzoate
PubChem CID158900963
Molecular FormulaC14H13ClFNO5S
Molecular Weight361.78 g/mol
Exact Mass361.02
IUPAC Namefluoromethyl 4-chloro-2-[2-(furan-2-yl)ethyl]-5-sulfamoylbenzoate
SMILESNS(=O)(=O)c1cc(C(=O)OCF)c(CCc2ccco2)cc1Cl
InChIInChI=1S/C14H13ClFNO5S/c15-12-6-9(3-4-10-2-1-5-21-10)11(14(18)22-8-16)7-13(12)23(17,19)20/h1-2,5-7H,3-4,8H2,(H2,17,19,20)
InChIKeyJFKZKVBNFUVMLV-UHFFFAOYSA-N
XLogP2.45
TPSA99.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.78
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl 4-chloro-2-[2-(furan-2-yl)ethyl]-5-sulfamoylbenzoate
CID 58344447
4-chloro-N,N-diethyl-2-[2-(furan-2-yl)ethyl]-5-sulfamoylbenzamide
CID 58033695
2-methoxyethyl 4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoate
CID 118302031
4-chloro-2-[2-(furan-2-yl)ethyl]-5-(methylsulfamoyl)benzoic acid
CID 162250451
methanethioyl 4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoate
CID 87081207
(1-ethoxy-1-oxopropan-2-yl) 4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoate
CID 155796067
CID 68522905
CID 68522905
potassium;4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoate;hydrochloride
CID 138402493
4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl cyanide
CID 141273993
sodium 4-chloro-2-[2-(furan-2-yl)ethylamino]-5-sulfamoylbenzenesulfonate
CID 23683943
4-chloro-2-[2-(furan-2-yl)ethyl]-5-(phenylcarbamoyl)benzoic acid
CID 167593834
2-chloro-4-(furan-2-ylmethylamino)-5-(imidazole-1-carbonyl)benzenesulfonamide
CID 58344429

Frequently Asked Questions

What is the IUPAC name of fluoromethyl 4-chloro-2-[2-(furan-2-yl)ethyl]-5-sulfamoylbenzoate?
The IUPAC name of fluoromethyl 4-chloro-2-[2-(furan-2-yl)ethyl]-5-sulfamoylbenzoate (CID 158900963) is fluoromethyl 4-chloro-2-[2-(furan-2-yl)ethyl]-5-sulfamoylbenzoate.
What is the SMILES notation for fluoromethyl 4-chloro-2-[2-(furan-2-yl)ethyl]-5-sulfamoylbenzoate?
The canonical SMILES for fluoromethyl 4-chloro-2-[2-(furan-2-yl)ethyl]-5-sulfamoylbenzoate is NS(=O)(=O)c1cc(C(=O)OCF)c(CCc2ccco2)cc1Cl.
What is the InChIKey of fluoromethyl 4-chloro-2-[2-(furan-2-yl)ethyl]-5-sulfamoylbenzoate?
The InChIKey is JFKZKVBNFUVMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO5S/c15-12-6-9(3-4-10-2-1-5-21-10)11(14(18)22-8-16)7-13(12)23(17,19)20/h1-2,5-7H,3-4,8H2,(H2,17,19,20).
What are the key properties of fluoromethyl 4-chloro-2-[2-(furan-2-yl)ethyl]-5-sulfamoylbenzoate?
fluoromethyl 4-chloro-2-[2-(furan-2-yl)ethyl]-5-sulfamoylbenzoate has a molecular weight of 361.78 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for fluoromethyl 4-chloro-2-[2-(furan-2-yl)ethyl]-5-sulfamoylbenzoate is sourced from PubChem (CID 158900963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).