methyl 2-chloro-5-(phenylsulfamoyl)benzoate

C14H12ClNO4S — CID 99702882

IUPACmethyl 2-chloro-5-(phenylsulfamoyl)benzoate
SMILESCOC(=O)c1cc(S(=O)(=O)Nc2ccccc2)ccc1Cl
InChIInChI=1S/C14H12ClNO4S/c1-20-14(17)12-9-11(7-8-13(12)15)21(18,19)16-10-5-3-2-4-6-10/h2-9,16H,1H3
InChIKeyMBLULVDBBREMLH-UHFFFAOYSA-N
MW325.77 g/mol
LogP2.93
Rot. Bonds4

About methyl 2-chloro-5-(phenylsulfamoyl)benzoate

methyl 2-chloro-5-(phenylsulfamoyl)benzoate (PubChem CID 99702882) has the molecular formula C14H12ClNO4S and a molecular weight of 325.77 g/mol. Its IUPAC name is methyl 2-chloro-5-(phenylsulfamoyl)benzoate.

Molecular Properties

Compound Namemethyl 2-chloro-5-(phenylsulfamoyl)benzoate
PubChem CID99702882
Molecular FormulaC14H12ClNO4S
Molecular Weight325.77 g/mol
Exact Mass325.02
IUPAC Namemethyl 2-chloro-5-(phenylsulfamoyl)benzoate
SMILESCOC(=O)c1cc(S(=O)(=O)Nc2ccccc2)ccc1Cl
InChIInChI=1S/C14H12ClNO4S/c1-20-14(17)12-9-11(7-8-13(12)15)21(18,19)16-10-5-3-2-4-6-10/h2-9,16H,1H3
InChIKeyMBLULVDBBREMLH-UHFFFAOYSA-N
XLogP2.93
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.77
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-chloro-5-[(3-fluoro-4-methylphenyl)sulfonylamino]benzoate
CID 51121376
methyl 2-amino-4-chloro-5-(phenylsulfamoyl)benzoate
CID 154097615
2-chloro-5-[[4-(4-methoxyanilino)phenyl]sulfamoyl]benzoic acid
CID 58937137
methyl 2-chloro-5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoate
CID 1090640
3-amino-4-chloro-N-phenylbenzenesulfonamide
CID 2873180
methyl 2-(phenylsulfamoyl)benzoate
CID 7939210
methyl 2-chloro-5-[[(R)-(2-methylphenyl)-phenylmethyl]sulfamoyl]benzoate
CID 100657490
methyl 2-chloro-5-[[7-[[7-[(4-methoxycarbonylphenyl)sulfamoyl]naphthalen-2-yl]carbamothioylamino]naphthalen-2-yl]sulfonylamino]benzoate
CID 87937934
methyl 2-bromo-5-[(3-chloro-4-methylphenyl)sulfamoyl]benzoate
CID 55925238
methyl 5-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfamoyl]-2-chlorobenzoate
CID 100724890
2-methyl-5-(phenylsulfamoyl)benzamide
CID 870864
2-(methylamino)-5-(phenylsulfamoyl)benzoic acid
CID 99988698

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-5-(phenylsulfamoyl)benzoate?
The IUPAC name of methyl 2-chloro-5-(phenylsulfamoyl)benzoate (CID 99702882) is methyl 2-chloro-5-(phenylsulfamoyl)benzoate.
What is the SMILES notation for methyl 2-chloro-5-(phenylsulfamoyl)benzoate?
The canonical SMILES for methyl 2-chloro-5-(phenylsulfamoyl)benzoate is COC(=O)c1cc(S(=O)(=O)Nc2ccccc2)ccc1Cl.
What is the InChIKey of methyl 2-chloro-5-(phenylsulfamoyl)benzoate?
The InChIKey is MBLULVDBBREMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO4S/c1-20-14(17)12-9-11(7-8-13(12)15)21(18,19)16-10-5-3-2-4-6-10/h2-9,16H,1H3.
What are the key properties of methyl 2-chloro-5-(phenylsulfamoyl)benzoate?
methyl 2-chloro-5-(phenylsulfamoyl)benzoate has a molecular weight of 325.77 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-5-(phenylsulfamoyl)benzoate is sourced from PubChem (CID 99702882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).