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

C18H18ClNO4S — CID 8672240

IUPAC(2-methylphenyl)methyl 4-chloro-3-(cyclopropylsulfamoyl)benzoate
SMILESCc1ccccc1COC(=O)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C18H18ClNO4S/c1-12-4-2-3-5-14(12)11-24-18(21)13-6-9-16(19)17(10-13)25(22,23)20-15-7-8-15/h2-6,9-10,15,20H,7-8,11H2,1H3
InChIKeyFBWJGNQTVZAQMO-UHFFFAOYSA-N
MW379.87 g/mol
LogP3.45
Rot. Bonds6

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

(2-methylphenyl)methyl 4-chloro-3-(cyclopropylsulfamoyl)benzoate (PubChem CID 8672240) has the molecular formula C18H18ClNO4S and a molecular weight of 379.87 g/mol. Its IUPAC name is (2-methylphenyl)methyl 4-chloro-3-(cyclopropylsulfamoyl)benzoate.

Molecular Properties

Compound Name(2-methylphenyl)methyl 4-chloro-3-(cyclopropylsulfamoyl)benzoate
PubChem CID8672240
Molecular FormulaC18H18ClNO4S
Molecular Weight379.87 g/mol
Exact Mass379.06
IUPAC Name(2-methylphenyl)methyl 4-chloro-3-(cyclopropylsulfamoyl)benzoate
SMILESCc1ccccc1COC(=O)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C18H18ClNO4S/c1-12-4-2-3-5-14(12)11-24-18(21)13-6-9-16(19)17(10-13)25(22,23)20-15-7-8-15/h2-6,9-10,15,20H,7-8,11H2,1H3
InChIKeyFBWJGNQTVZAQMO-UHFFFAOYSA-N
XLogP3.45
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.87
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-chlorophenyl)methyl 4-chloro-3-(cyclopropylsulfamoyl)benzoate
CID 8672183
methyl 4-chloro-3-(cyclopropylsulfamoyl)benzoate
CID 32917957
2-(3-methylphenoxy)ethyl 4-chloro-3-(cyclopropylsulfamoyl)benzoate
CID 8672225
(2-fluorophenyl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 7991073
methyl 4-chloro-3-(cyclopentylsulfamoyl)benzoate
CID 35294285
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 4-chloro-3-(cyclopropylsulfamoyl)benzoate
CID 8672231
methyl 4-chloro-3-(piperidin-4-ylsulfamoyl)benzoate
CID 43603231
[(2R)-1-oxo-1-(propylamino)propan-2-yl] 4-chloro-3-(cyclopropylsulfamoyl)benzoate
CID 9062209
4-chloro-3-(cyclopropylsulfamoyl)benzenecarbothioamide
CID 80704050
(3-methylquinoxalin-2-yl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 46819279
(2-chloro-6-fluorophenyl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 7991085
[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 4-chloro-3-(cyclopropylsulfamoyl)benzoate
CID 18195679

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)methyl 4-chloro-3-(cyclopropylsulfamoyl)benzoate?
The IUPAC name of (2-methylphenyl)methyl 4-chloro-3-(cyclopropylsulfamoyl)benzoate (CID 8672240) is (2-methylphenyl)methyl 4-chloro-3-(cyclopropylsulfamoyl)benzoate.
What is the SMILES notation for (2-methylphenyl)methyl 4-chloro-3-(cyclopropylsulfamoyl)benzoate?
The canonical SMILES for (2-methylphenyl)methyl 4-chloro-3-(cyclopropylsulfamoyl)benzoate is Cc1ccccc1COC(=O)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1.
What is the InChIKey of (2-methylphenyl)methyl 4-chloro-3-(cyclopropylsulfamoyl)benzoate?
The InChIKey is FBWJGNQTVZAQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO4S/c1-12-4-2-3-5-14(12)11-24-18(21)13-6-9-16(19)17(10-13)25(22,23)20-15-7-8-15/h2-6,9-10,15,20H,7-8,11H2,1H3.
What are the key properties of (2-methylphenyl)methyl 4-chloro-3-(cyclopropylsulfamoyl)benzoate?
(2-methylphenyl)methyl 4-chloro-3-(cyclopropylsulfamoyl)benzoate has a molecular weight of 379.87 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)methyl 4-chloro-3-(cyclopropylsulfamoyl)benzoate is sourced from PubChem (CID 8672240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).