(4-chlorophenyl)methyl 5-(cyclopropylsulfamoyl)-2-methylbenzoate

C18H18ClNO4S — CID 55490032

IUPAC(4-chlorophenyl)methyl 5-(cyclopropylsulfamoyl)-2-methylbenzoate
SMILESCc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)OCc1ccc(Cl)cc1
InChIInChI=1S/C18H18ClNO4S/c1-12-2-9-16(25(22,23)20-15-7-8-15)10-17(12)18(21)24-11-13-3-5-14(19)6-4-13/h2-6,9-10,15,20H,7-8,11H2,1H3
InChIKeyQXOOXSPDMQMQBS-UHFFFAOYSA-N
MW379.87 g/mol
LogP3.45
Rot. Bonds6

About (4-chlorophenyl)methyl 5-(cyclopropylsulfamoyl)-2-methylbenzoate

(4-chlorophenyl)methyl 5-(cyclopropylsulfamoyl)-2-methylbenzoate (PubChem CID 55490032) has the molecular formula C18H18ClNO4S and a molecular weight of 379.87 g/mol. Its IUPAC name is (4-chlorophenyl)methyl 5-(cyclopropylsulfamoyl)-2-methylbenzoate.

Molecular Properties

Compound Name(4-chlorophenyl)methyl 5-(cyclopropylsulfamoyl)-2-methylbenzoate
PubChem CID55490032
Molecular FormulaC18H18ClNO4S
Molecular Weight379.87 g/mol
Exact Mass379.06
IUPAC Name(4-chlorophenyl)methyl 5-(cyclopropylsulfamoyl)-2-methylbenzoate
SMILESCc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)OCc1ccc(Cl)cc1
InChIInChI=1S/C18H18ClNO4S/c1-12-2-9-16(25(22,23)20-15-7-8-15)10-17(12)18(21)24-11-13-3-5-14(19)6-4-13/h2-6,9-10,15,20H,7-8,11H2,1H3
InChIKeyQXOOXSPDMQMQBS-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

benzyl 5-(cyclopropylsulfamoyl)-2-methylbenzoate
CID 46679142
cyclohexylmethyl 5-(cyclopropylsulfamoyl)-2-methylbenzoate
CID 46679136
(6-chloro-4H-1,3-benzodioxin-8-yl)methyl 5-(cyclopropylsulfamoyl)-2-methylbenzoate
CID 55489449
[2-(3-chloroanilino)-2-oxoethyl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate
CID 46679348
[2-oxo-2-(3-phenylpropylamino)ethyl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate
CID 46603077
(4-chlorophenyl)methyl 2-fluoro-5-(methylsulfamoyl)benzoate
CID 18125487
[2-(azepan-1-yl)-2-oxoethyl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate
CID 46679189
[2-(3-methylbutan-2-ylamino)-2-oxoethyl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate
CID 46679220
5-(cyclopropylsulfamoyl)-2-methyl-N-propan-2-ylbenzamide
CID 51233854
[2-(butan-2-ylamino)-2-oxoethyl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate
CID 46679679
[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate
CID 55489788
(3-oxobenzo[f]chromen-1-yl)methyl 5-(cyclopropylsulfamoyl)-2-methylbenzoate
CID 46679378

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)methyl 5-(cyclopropylsulfamoyl)-2-methylbenzoate?
The IUPAC name of (4-chlorophenyl)methyl 5-(cyclopropylsulfamoyl)-2-methylbenzoate (CID 55490032) is (4-chlorophenyl)methyl 5-(cyclopropylsulfamoyl)-2-methylbenzoate.
What is the SMILES notation for (4-chlorophenyl)methyl 5-(cyclopropylsulfamoyl)-2-methylbenzoate?
The canonical SMILES for (4-chlorophenyl)methyl 5-(cyclopropylsulfamoyl)-2-methylbenzoate is Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)OCc1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl)methyl 5-(cyclopropylsulfamoyl)-2-methylbenzoate?
The InChIKey is QXOOXSPDMQMQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO4S/c1-12-2-9-16(25(22,23)20-15-7-8-15)10-17(12)18(21)24-11-13-3-5-14(19)6-4-13/h2-6,9-10,15,20H,7-8,11H2,1H3.
What are the key properties of (4-chlorophenyl)methyl 5-(cyclopropylsulfamoyl)-2-methylbenzoate?
(4-chlorophenyl)methyl 5-(cyclopropylsulfamoyl)-2-methylbenzoate 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 (4-chlorophenyl)methyl 5-(cyclopropylsulfamoyl)-2-methylbenzoate is sourced from PubChem (CID 55490032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).