methyl 2-[[2-chloro-5-(methanesulfonamido)benzoyl]amino]benzoate

C16H15ClN2O5S — CID 38015776

IUPACmethyl 2-[[2-chloro-5-(methanesulfonamido)benzoyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cc(NS(C)(=O)=O)ccc1Cl
InChIInChI=1S/C16H15ClN2O5S/c1-24-16(21)11-5-3-4-6-14(11)18-15(20)12-9-10(7-8-13(12)17)19-25(2,22)23/h3-9,19H,1-2H3,(H,18,20)
InChIKeyOBNKAVOUPHWPGI-UHFFFAOYSA-N
MW382.83 g/mol
LogP2.75
Rot. Bonds5

About methyl 2-[[2-chloro-5-(methanesulfonamido)benzoyl]amino]benzoate

methyl 2-[[2-chloro-5-(methanesulfonamido)benzoyl]amino]benzoate (PubChem CID 38015776) has the molecular formula C16H15ClN2O5S and a molecular weight of 382.83 g/mol. Its IUPAC name is methyl 2-[[2-chloro-5-(methanesulfonamido)benzoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-chloro-5-(methanesulfonamido)benzoyl]amino]benzoate
PubChem CID38015776
Molecular FormulaC16H15ClN2O5S
Molecular Weight382.83 g/mol
Exact Mass382.04
IUPAC Namemethyl 2-[[2-chloro-5-(methanesulfonamido)benzoyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cc(NS(C)(=O)=O)ccc1Cl
InChIInChI=1S/C16H15ClN2O5S/c1-24-16(21)11-5-3-4-6-14(11)18-15(20)12-9-10(7-8-13(12)17)19-25(2,22)23/h3-9,19H,1-2H3,(H,18,20)
InChIKeyOBNKAVOUPHWPGI-UHFFFAOYSA-N
XLogP2.75
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.83
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[[2-chloro-4-(methanesulfonamido)benzoyl]amino]-2-methylbenzoate
CID 99957500
2-chloro-N-(2-ethoxyphenyl)-5-(methanesulfonamido)benzamide
CID 28631283
N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-2-chloro-5-(methanesulfonamido)benzamide
CID 92675184
N-(4-acetamidophenyl)-2-chloro-5-(methanesulfonamido)benzamide
CID 30397176
2-chloro-N-(4-chlorophenyl)-5-(methanesulfonamido)benzamide
CID 92685896
methyl 2-[[4-(methanesulfonamido)-3-methylbenzoyl]amino]benzoate
CID 19062657
methyl 2-chloro-5-[(2-iodobenzoyl)amino]benzoate
CID 1312112
methyl 2-[(2-chloro-4-fluorobenzoyl)amino]benzoate
CID 17418027
methyl 3-[[2-(methanesulfonamido)benzoyl]amino]-2-methylbenzoate
CID 2974111
2-chloro-N-(2-ethyl-6-methylphenyl)-5-(methanesulfonamido)benzamide
CID 46770786
methyl 2-[(5-chloronaphthalene-1-carbonyl)amino]benzoate
CID 17102102
methyl 2-[(5-chloro-2-methylbenzoyl)amino]benzoate
CID 115532221

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-chloro-5-(methanesulfonamido)benzoyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-chloro-5-(methanesulfonamido)benzoyl]amino]benzoate (CID 38015776) is methyl 2-[[2-chloro-5-(methanesulfonamido)benzoyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-chloro-5-(methanesulfonamido)benzoyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-chloro-5-(methanesulfonamido)benzoyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)c1cc(NS(C)(=O)=O)ccc1Cl.
What is the InChIKey of methyl 2-[[2-chloro-5-(methanesulfonamido)benzoyl]amino]benzoate?
The InChIKey is OBNKAVOUPHWPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O5S/c1-24-16(21)11-5-3-4-6-14(11)18-15(20)12-9-10(7-8-13(12)17)19-25(2,22)23/h3-9,19H,1-2H3,(H,18,20).
What are the key properties of methyl 2-[[2-chloro-5-(methanesulfonamido)benzoyl]amino]benzoate?
methyl 2-[[2-chloro-5-(methanesulfonamido)benzoyl]amino]benzoate has a molecular weight of 382.83 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-chloro-5-(methanesulfonamido)benzoyl]amino]benzoate is sourced from PubChem (CID 38015776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).