methyl 3-[[2-chloro-4-(methanesulfonamido)benzoyl]amino]-2-methylbenzoate

C17H17ClN2O5S — CID 99957500

IUPACmethyl 3-[[2-chloro-4-(methanesulfonamido)benzoyl]amino]-2-methylbenzoate
SMILESCOC(=O)c1cccc(NC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)c1C
InChIInChI=1S/C17H17ClN2O5S/c1-10-12(17(22)25-2)5-4-6-15(10)19-16(21)13-8-7-11(9-14(13)18)20-26(3,23)24/h4-9,20H,1-3H3,(H,19,21)
InChIKeyCKWGJUFQUUCXJE-UHFFFAOYSA-N
MW396.85 g/mol
LogP3.06
Rot. Bonds5

About methyl 3-[[2-chloro-4-(methanesulfonamido)benzoyl]amino]-2-methylbenzoate

methyl 3-[[2-chloro-4-(methanesulfonamido)benzoyl]amino]-2-methylbenzoate (PubChem CID 99957500) has the molecular formula C17H17ClN2O5S and a molecular weight of 396.85 g/mol. Its IUPAC name is methyl 3-[[2-chloro-4-(methanesulfonamido)benzoyl]amino]-2-methylbenzoate.

Molecular Properties

Compound Namemethyl 3-[[2-chloro-4-(methanesulfonamido)benzoyl]amino]-2-methylbenzoate
PubChem CID99957500
Molecular FormulaC17H17ClN2O5S
Molecular Weight396.85 g/mol
Exact Mass396.05
IUPAC Namemethyl 3-[[2-chloro-4-(methanesulfonamido)benzoyl]amino]-2-methylbenzoate
SMILESCOC(=O)c1cccc(NC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)c1C
InChIInChI=1S/C17H17ClN2O5S/c1-10-12(17(22)25-2)5-4-6-15(10)19-16(21)13-8-7-11(9-14(13)18)20-26(3,23)24/h4-9,20H,1-3H3,(H,19,21)
InChIKeyCKWGJUFQUUCXJE-UHFFFAOYSA-N
XLogP3.06
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.85
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[2-chloro-5-(methanesulfonamido)benzoyl]amino]benzoate
CID 38015776
methyl 3-[[2-(methanesulfonamido)benzoyl]amino]-2-methylbenzoate
CID 2974111
2-chloro-N-(4-chloro-2-methylphenyl)-4-(methanesulfonamido)benzamide
CID 28580400
N-(3-acetamidophenyl)-2-chloro-4-(methanesulfonamido)benzamide
CID 28635588
methyl 3-[(4-chloro-2-fluorobenzoyl)amino]-2-methylbenzoate
CID 94002452
2-chloro-4-(methanesulfonamido)-N-naphthalen-2-ylbenzamide
CID 99951407
2-chloro-N-[2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]-4-(methanesulfonamido)benzamide
CID 43885687
methyl 3-[(4-chlorobenzoyl)amino]-2-methylbenzoate
CID 956522
ethyl 3-[[2-chloro-5-[(4-methylphenyl)sulfonylamino]benzoyl]amino]-2-methylbenzoate
CID 92685301
2-chloro-4-(methanesulfonamido)-N-(2-methoxyethyl)benzamide
CID 38003506
methyl 3-[(2,4-dichlorobenzoyl)amino]-2-hydroxybenzoate
CID 108745807
2,4-dichloro-N-[2-(methanesulfonamido)phenyl]benzamide
CID 35368130

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-chloro-4-(methanesulfonamido)benzoyl]amino]-2-methylbenzoate?
The IUPAC name of methyl 3-[[2-chloro-4-(methanesulfonamido)benzoyl]amino]-2-methylbenzoate (CID 99957500) is methyl 3-[[2-chloro-4-(methanesulfonamido)benzoyl]amino]-2-methylbenzoate.
What is the SMILES notation for methyl 3-[[2-chloro-4-(methanesulfonamido)benzoyl]amino]-2-methylbenzoate?
The canonical SMILES for methyl 3-[[2-chloro-4-(methanesulfonamido)benzoyl]amino]-2-methylbenzoate is COC(=O)c1cccc(NC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)c1C.
What is the InChIKey of methyl 3-[[2-chloro-4-(methanesulfonamido)benzoyl]amino]-2-methylbenzoate?
The InChIKey is CKWGJUFQUUCXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O5S/c1-10-12(17(22)25-2)5-4-6-15(10)19-16(21)13-8-7-11(9-14(13)18)20-26(3,23)24/h4-9,20H,1-3H3,(H,19,21).
What are the key properties of methyl 3-[[2-chloro-4-(methanesulfonamido)benzoyl]amino]-2-methylbenzoate?
methyl 3-[[2-chloro-4-(methanesulfonamido)benzoyl]amino]-2-methylbenzoate has a molecular weight of 396.85 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-chloro-4-(methanesulfonamido)benzoyl]amino]-2-methylbenzoate is sourced from PubChem (CID 99957500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).