methyl 3-chloro-2-[(4-methylphenyl)sulfonylamino]benzoate

C15H14ClNO4S — CID 169373285

IUPACmethyl 3-chloro-2-[(4-methylphenyl)sulfonylamino]benzoate
SMILESCOC(=O)c1cccc(Cl)c1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H14ClNO4S/c1-10-6-8-11(9-7-10)22(19,20)17-14-12(15(18)21-2)4-3-5-13(14)16/h3-9,17H,1-2H3
InChIKeyAOKIERQLMOZSAK-UHFFFAOYSA-N
MW339.80 g/mol
LogP3.24
Rot. Bonds4

About methyl 3-chloro-2-[(4-methylphenyl)sulfonylamino]benzoate

methyl 3-chloro-2-[(4-methylphenyl)sulfonylamino]benzoate (PubChem CID 169373285) has the molecular formula C15H14ClNO4S and a molecular weight of 339.80 g/mol. Its IUPAC name is methyl 3-chloro-2-[(4-methylphenyl)sulfonylamino]benzoate.

Molecular Properties

Compound Namemethyl 3-chloro-2-[(4-methylphenyl)sulfonylamino]benzoate
PubChem CID169373285
Molecular FormulaC15H14ClNO4S
Molecular Weight339.80 g/mol
Exact Mass339.03
IUPAC Namemethyl 3-chloro-2-[(4-methylphenyl)sulfonylamino]benzoate
SMILESCOC(=O)c1cccc(Cl)c1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H14ClNO4S/c1-10-6-8-11(9-7-10)22(19,20)17-14-12(15(18)21-2)4-3-5-13(14)16/h3-9,17H,1-2H3
InChIKeyAOKIERQLMOZSAK-UHFFFAOYSA-N
XLogP3.24
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.80
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2,4-dichloro-3-[(4-methylphenyl)sulfonylamino]benzoate
CID 169371636
N-(2-chloro-6-methylphenyl)-4-methylbenzenesulfonamide
CID 19256835
methyl 1-[(4-methylphenyl)sulfonylamino]naphthalene-2-carboxylate
CID 169372846
methyl 2-[(4-fluorophenyl)sulfonylamino]-3-methylbenzoate
CID 22633909
methyl 2-[4-[(4-methylphenyl)sulfonylamino]anilino]benzoate
CID 112988470
methyl 2-methyl-3-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzoate
CID 2980517
methyl 2,4-dimethoxy-3-[(4-methylphenyl)sulfonylamino]benzoate
CID 139249633
2-chloro-N-[[4-[(4-methylphenyl)sulfamoyl]phenyl]carbamothioyl]benzamide
CID 141273722
methyl 3,4-diamino-2,5-bis[(4-methylphenyl)sulfonylamino]benzoate
CID 118497707
N-[2-chloro-6-(2-methoxy-1-propan-2-ylsulfanylethyl)phenyl]-4-methylbenzenesulfonamide
CID 135051824
methyl 2,3-difluoro-4-[(4-methylphenyl)sulfonylamino]benzoate
CID 169372369
N-(2-acetyl-6-bromophenyl)-4-methylbenzenesulfonamide
CID 169370890

Frequently Asked Questions

What is the IUPAC name of methyl 3-chloro-2-[(4-methylphenyl)sulfonylamino]benzoate?
The IUPAC name of methyl 3-chloro-2-[(4-methylphenyl)sulfonylamino]benzoate (CID 169373285) is methyl 3-chloro-2-[(4-methylphenyl)sulfonylamino]benzoate.
What is the SMILES notation for methyl 3-chloro-2-[(4-methylphenyl)sulfonylamino]benzoate?
The canonical SMILES for methyl 3-chloro-2-[(4-methylphenyl)sulfonylamino]benzoate is COC(=O)c1cccc(Cl)c1NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of methyl 3-chloro-2-[(4-methylphenyl)sulfonylamino]benzoate?
The InChIKey is AOKIERQLMOZSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO4S/c1-10-6-8-11(9-7-10)22(19,20)17-14-12(15(18)21-2)4-3-5-13(14)16/h3-9,17H,1-2H3.
What are the key properties of methyl 3-chloro-2-[(4-methylphenyl)sulfonylamino]benzoate?
methyl 3-chloro-2-[(4-methylphenyl)sulfonylamino]benzoate has a molecular weight of 339.80 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-chloro-2-[(4-methylphenyl)sulfonylamino]benzoate is sourced from PubChem (CID 169373285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).