2-chloro-5-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid

C10H11ClN2O5S — CID 43214152

IUPAC2-chloro-5-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid
SMILESCNC(=O)CNS(=O)(=O)c1ccc(Cl)c(C(=O)O)c1
InChIInChI=1S/C10H11ClN2O5S/c1-12-9(14)5-13-19(17,18)6-2-3-8(11)7(4-6)10(15)16/h2-4,13H,5H2,1H3,(H,12,14)(H,15,16)
InChIKeyVFCIXITUUGVMLY-UHFFFAOYSA-N
MW306.73 g/mol
LogP0.06
Rot. Bonds5

About 2-chloro-5-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid

2-chloro-5-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid (PubChem CID 43214152) has the molecular formula C10H11ClN2O5S and a molecular weight of 306.73 g/mol. Its IUPAC name is 2-chloro-5-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-chloro-5-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid
PubChem CID43214152
Molecular FormulaC10H11ClN2O5S
Molecular Weight306.73 g/mol
Exact Mass306.01
IUPAC Name2-chloro-5-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid
SMILESCNC(=O)CNS(=O)(=O)c1ccc(Cl)c(C(=O)O)c1
InChIInChI=1S/C10H11ClN2O5S/c1-12-9(14)5-13-19(17,18)6-2-3-8(11)7(4-6)10(15)16/h2-4,13H,5H2,1H3,(H,12,14)(H,15,16)
InChIKeyVFCIXITUUGVMLY-UHFFFAOYSA-N
XLogP0.06
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.73
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-iodo-5-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid
CID 103962275
2-chloro-5-(2-methylprop-2-enylsulfamoyl)benzoic acid
CID 114615359
2-chloro-5-[2-(methanesulfonamido)ethylsulfamoyl]benzoic acid
CID 43420743
2-chloro-5-(2-methylsulfonylethylsulfamoyl)benzoic acid
CID 60920912
2-chloro-5-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfamoyl]benzoic acid
CID 110712522
4-chloro-3-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid
CID 43214151
2-chloro-5-(2-methylsulfanylethylsulfamoyl)benzoic acid
CID 43396102
2-chloro-5-(2,2-dimethoxyethylsulfamoyl)benzoic acid
CID 78907701
2-chloro-5-(2-methoxyethoxysulfamoyl)benzoic acid
CID 82706672
4-amino-2-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid
CID 102930917
2-chloro-4-(2-methylprop-2-enylsulfamoyl)benzoic acid
CID 107090333
2-chloro-5-(4-methylsulfanylbutylsulfamoyl)benzoic acid
CID 104655035

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid?
The IUPAC name of 2-chloro-5-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid (CID 43214152) is 2-chloro-5-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid.
What is the SMILES notation for 2-chloro-5-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid?
The canonical SMILES for 2-chloro-5-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid is CNC(=O)CNS(=O)(=O)c1ccc(Cl)c(C(=O)O)c1.
What is the InChIKey of 2-chloro-5-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid?
The InChIKey is VFCIXITUUGVMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O5S/c1-12-9(14)5-13-19(17,18)6-2-3-8(11)7(4-6)10(15)16/h2-4,13H,5H2,1H3,(H,12,14)(H,15,16).
What are the key properties of 2-chloro-5-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid?
2-chloro-5-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid has a molecular weight of 306.73 g/mol, XLogP of 0.06, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid is sourced from PubChem (CID 43214152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).