[2-(3-chloroanilino)-2-oxoethyl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate

C19H19ClN2O5S — CID 46679348

IUPAC[2-(3-chloroanilino)-2-oxoethyl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate
SMILESCc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)OCC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C19H19ClN2O5S/c1-12-5-8-16(28(25,26)22-14-6-7-14)10-17(12)19(24)27-11-18(23)21-15-4-2-3-13(20)9-15/h2-5,8-10,14,22H,6-7,11H2,1H3,(H,21,23)
InChIKeySJLXVRQPOUNAFN-UHFFFAOYSA-N
MW422.89 g/mol
LogP2.88
Rot. Bonds7

About [2-(3-chloroanilino)-2-oxoethyl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate

[2-(3-chloroanilino)-2-oxoethyl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate (PubChem CID 46679348) has the molecular formula C19H19ClN2O5S and a molecular weight of 422.89 g/mol. Its IUPAC name is [2-(3-chloroanilino)-2-oxoethyl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate.

Molecular Properties

Compound Name[2-(3-chloroanilino)-2-oxoethyl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate
PubChem CID46679348
Molecular FormulaC19H19ClN2O5S
Molecular Weight422.89 g/mol
Exact Mass422.07
IUPAC Name[2-(3-chloroanilino)-2-oxoethyl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate
SMILESCc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)OCC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C19H19ClN2O5S/c1-12-5-8-16(28(25,26)22-14-6-7-14)10-17(12)19(24)27-11-18(23)21-15-4-2-3-13(20)9-15/h2-5,8-10,14,22H,6-7,11H2,1H3,(H,21,23)
InChIKeySJLXVRQPOUNAFN-UHFFFAOYSA-N
XLogP2.88
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.89
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-(3-chloroanilino)-2-oxoethyl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate with MolForge

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Related Compounds

N-(3-chlorophenyl)-5-(cyclopropylsulfamoyl)-2-methylbenzamide
CID 34744641
[2-(3-methylbutan-2-ylamino)-2-oxoethyl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate
CID 46679220
(4-chlorophenyl)methyl 5-(cyclopropylsulfamoyl)-2-methylbenzoate
CID 55490032
[2-(butan-2-ylamino)-2-oxoethyl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate
CID 46679679
[2-oxo-2-(3-phenylpropylamino)ethyl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate
CID 46603077
benzyl 5-(cyclopropylsulfamoyl)-2-methylbenzoate
CID 46679142
[2-(azepan-1-yl)-2-oxoethyl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate
CID 46679189
cyclohexylmethyl 5-(cyclopropylsulfamoyl)-2-methylbenzoate
CID 46679136
[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate
CID 55489788
[2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate
CID 55489042
5-(cyclopropylsulfamoyl)-N-[3-(ethylaminomethyl)phenyl]-2-methylbenzamide;hydrochloride
CID 119438257
N-[3-(cyclopropylsulfamoyl)phenyl]-4-(2,5-dimethylphenyl)-4-oxobutanamide
CID 24646324

Frequently Asked Questions

What is the IUPAC name of [2-(3-chloroanilino)-2-oxoethyl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate?
The IUPAC name of [2-(3-chloroanilino)-2-oxoethyl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate (CID 46679348) is [2-(3-chloroanilino)-2-oxoethyl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate.
What is the SMILES notation for [2-(3-chloroanilino)-2-oxoethyl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate?
The canonical SMILES for [2-(3-chloroanilino)-2-oxoethyl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate is Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)OCC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of [2-(3-chloroanilino)-2-oxoethyl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate?
The InChIKey is SJLXVRQPOUNAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O5S/c1-12-5-8-16(28(25,26)22-14-6-7-14)10-17(12)19(24)27-11-18(23)21-15-4-2-3-13(20)9-15/h2-5,8-10,14,22H,6-7,11H2,1H3,(H,21,23).
What are the key properties of [2-(3-chloroanilino)-2-oxoethyl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate?
[2-(3-chloroanilino)-2-oxoethyl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate has a molecular weight of 422.89 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloroanilino)-2-oxoethyl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate is sourced from PubChem (CID 46679348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).