(2-chlorophenyl)methyl 4-chloro-3-(cyclopropylsulfamoyl)benzoate

C17H15Cl2NO4S — CID 8672183

IUPAC(2-chlorophenyl)methyl 4-chloro-3-(cyclopropylsulfamoyl)benzoate
SMILESO=C(OCc1ccccc1Cl)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C17H15Cl2NO4S/c18-14-4-2-1-3-12(14)10-24-17(21)11-5-8-15(19)16(9-11)25(22,23)20-13-6-7-13/h1-5,8-9,13,20H,6-7,10H2
InChIKeyWWTZJAFETNEBDO-UHFFFAOYSA-N
MW400.28 g/mol
LogP3.79
Rot. Bonds6

About (2-chlorophenyl)methyl 4-chloro-3-(cyclopropylsulfamoyl)benzoate

(2-chlorophenyl)methyl 4-chloro-3-(cyclopropylsulfamoyl)benzoate (PubChem CID 8672183) has the molecular formula C17H15Cl2NO4S and a molecular weight of 400.28 g/mol. Its IUPAC name is (2-chlorophenyl)methyl 4-chloro-3-(cyclopropylsulfamoyl)benzoate.

Molecular Properties

Compound Name(2-chlorophenyl)methyl 4-chloro-3-(cyclopropylsulfamoyl)benzoate
PubChem CID8672183
Molecular FormulaC17H15Cl2NO4S
Molecular Weight400.28 g/mol
Exact Mass399.01
IUPAC Name(2-chlorophenyl)methyl 4-chloro-3-(cyclopropylsulfamoyl)benzoate
SMILESO=C(OCc1ccccc1Cl)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C17H15Cl2NO4S/c18-14-4-2-1-3-12(14)10-24-17(21)11-5-8-15(19)16(9-11)25(22,23)20-13-6-7-13/h1-5,8-9,13,20H,6-7,10H2
InChIKeyWWTZJAFETNEBDO-UHFFFAOYSA-N
XLogP3.79
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.28
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methylphenyl)methyl 4-chloro-3-(cyclopropylsulfamoyl)benzoate
CID 8672240
methyl 4-chloro-3-(cyclopropylsulfamoyl)benzoate
CID 32917957
(2-fluorophenyl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 7991073
2-(3-methylphenoxy)ethyl 4-chloro-3-(cyclopropylsulfamoyl)benzoate
CID 8672225
methyl 4-chloro-3-(cyclopentylsulfamoyl)benzoate
CID 35294285
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 4-chloro-3-(cyclopropylsulfamoyl)benzoate
CID 8672231
4-chloro-3-(cyclopropylsulfamoyl)benzenecarbothioamide
CID 80704050
(2-chloro-6-fluorophenyl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 7991085
[(2R)-1-oxo-1-(propylamino)propan-2-yl] 4-chloro-3-(cyclopropylsulfamoyl)benzoate
CID 9062209
methyl 4-chloro-3-(piperidin-4-ylsulfamoyl)benzoate
CID 43603231
[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 4-chloro-3-(cyclopropylsulfamoyl)benzoate
CID 18195679
(3-methylquinoxalin-2-yl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 46819279

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)methyl 4-chloro-3-(cyclopropylsulfamoyl)benzoate?
The IUPAC name of (2-chlorophenyl)methyl 4-chloro-3-(cyclopropylsulfamoyl)benzoate (CID 8672183) is (2-chlorophenyl)methyl 4-chloro-3-(cyclopropylsulfamoyl)benzoate.
What is the SMILES notation for (2-chlorophenyl)methyl 4-chloro-3-(cyclopropylsulfamoyl)benzoate?
The canonical SMILES for (2-chlorophenyl)methyl 4-chloro-3-(cyclopropylsulfamoyl)benzoate is O=C(OCc1ccccc1Cl)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1.
What is the InChIKey of (2-chlorophenyl)methyl 4-chloro-3-(cyclopropylsulfamoyl)benzoate?
The InChIKey is WWTZJAFETNEBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2NO4S/c18-14-4-2-1-3-12(14)10-24-17(21)11-5-8-15(19)16(9-11)25(22,23)20-13-6-7-13/h1-5,8-9,13,20H,6-7,10H2.
What are the key properties of (2-chlorophenyl)methyl 4-chloro-3-(cyclopropylsulfamoyl)benzoate?
(2-chlorophenyl)methyl 4-chloro-3-(cyclopropylsulfamoyl)benzoate has a molecular weight of 400.28 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)methyl 4-chloro-3-(cyclopropylsulfamoyl)benzoate is sourced from PubChem (CID 8672183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).