(3-chlorophenyl)methyl 3-(furan-2-ylmethylsulfamoyl)benzoate

C19H16ClNO5S — CID 41195143

IUPAC(3-chlorophenyl)methyl 3-(furan-2-ylmethylsulfamoyl)benzoate
SMILESO=C(OCc1cccc(Cl)c1)c1cccc(S(=O)(=O)NCc2ccco2)c1
InChIInChI=1S/C19H16ClNO5S/c20-16-6-1-4-14(10-16)13-26-19(22)15-5-2-8-18(11-15)27(23,24)21-12-17-7-3-9-25-17/h1-11,21H,12-13H2
InChIKeyJTVVNSWHKZFLNI-UHFFFAOYSA-N
MW405.86 g/mol
LogP3.77
Rot. Bonds7

About (3-chlorophenyl)methyl 3-(furan-2-ylmethylsulfamoyl)benzoate

(3-chlorophenyl)methyl 3-(furan-2-ylmethylsulfamoyl)benzoate (PubChem CID 41195143) has the molecular formula C19H16ClNO5S and a molecular weight of 405.86 g/mol. Its IUPAC name is (3-chlorophenyl)methyl 3-(furan-2-ylmethylsulfamoyl)benzoate.

Molecular Properties

Compound Name(3-chlorophenyl)methyl 3-(furan-2-ylmethylsulfamoyl)benzoate
PubChem CID41195143
Molecular FormulaC19H16ClNO5S
Molecular Weight405.86 g/mol
Exact Mass405.04
IUPAC Name(3-chlorophenyl)methyl 3-(furan-2-ylmethylsulfamoyl)benzoate
SMILESO=C(OCc1cccc(Cl)c1)c1cccc(S(=O)(=O)NCc2ccco2)c1
InChIInChI=1S/C19H16ClNO5S/c20-16-6-1-4-14(10-16)13-26-19(22)15-5-2-8-18(11-15)27(23,24)21-12-17-7-3-9-25-17/h1-11,21H,12-13H2
InChIKeyJTVVNSWHKZFLNI-UHFFFAOYSA-N
XLogP3.77
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.86
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 7765854
3-(furan-2-ylmethylsulfamoyl)benzoic acid
CID 972732
(3-cyanophenyl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 7765848
[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 3-(furan-2-ylmethylsulfamoyl)benzoate
CID 7976486
[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] 3-(furan-2-ylmethylsulfamoyl)benzoate
CID 42987157
3-chloro-N-[2-fluoro-4-(furan-2-ylmethylsulfamoyl)phenyl]benzamide
CID 18892761
(7-chloro-1,3-benzodioxol-5-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 55458749
(3-chlorophenyl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate
CID 7699907
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 3-(furan-2-ylmethylsulfamoyl)benzoate
CID 7976489
butyl 4-[[3-(furan-2-ylmethylsulfamoyl)benzoyl]amino]benzoate
CID 35143678
3-(furan-2-ylmethylsulfamoyl)-N,N-dipropylbenzamide
CID 109064446
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 16526843

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)methyl 3-(furan-2-ylmethylsulfamoyl)benzoate?
The IUPAC name of (3-chlorophenyl)methyl 3-(furan-2-ylmethylsulfamoyl)benzoate (CID 41195143) is (3-chlorophenyl)methyl 3-(furan-2-ylmethylsulfamoyl)benzoate.
What is the SMILES notation for (3-chlorophenyl)methyl 3-(furan-2-ylmethylsulfamoyl)benzoate?
The canonical SMILES for (3-chlorophenyl)methyl 3-(furan-2-ylmethylsulfamoyl)benzoate is O=C(OCc1cccc(Cl)c1)c1cccc(S(=O)(=O)NCc2ccco2)c1.
What is the InChIKey of (3-chlorophenyl)methyl 3-(furan-2-ylmethylsulfamoyl)benzoate?
The InChIKey is JTVVNSWHKZFLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO5S/c20-16-6-1-4-14(10-16)13-26-19(22)15-5-2-8-18(11-15)27(23,24)21-12-17-7-3-9-25-17/h1-11,21H,12-13H2.
What are the key properties of (3-chlorophenyl)methyl 3-(furan-2-ylmethylsulfamoyl)benzoate?
(3-chlorophenyl)methyl 3-(furan-2-ylmethylsulfamoyl)benzoate has a molecular weight of 405.86 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)methyl 3-(furan-2-ylmethylsulfamoyl)benzoate is sourced from PubChem (CID 41195143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).