4-chloro-3-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid

C10H11ClN2O5S — CID 43214151

IUPAC4-chloro-3-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid
SMILESCNC(=O)CNS(=O)(=O)c1cc(C(=O)O)ccc1Cl
InChIInChI=1S/C10H11ClN2O5S/c1-12-9(14)5-13-19(17,18)8-4-6(10(15)16)2-3-7(8)11/h2-4,13H,5H2,1H3,(H,12,14)(H,15,16)
InChIKeyIORQTCBXCDJVJM-UHFFFAOYSA-N
MW306.73 g/mol
LogP0.06
Rot. Bonds5

About 4-chloro-3-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid

4-chloro-3-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid (PubChem CID 43214151) has the molecular formula C10H11ClN2O5S and a molecular weight of 306.73 g/mol. Its IUPAC name is 4-chloro-3-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-chloro-3-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid
PubChem CID43214151
Molecular FormulaC10H11ClN2O5S
Molecular Weight306.73 g/mol
Exact Mass306.01
IUPAC Name4-chloro-3-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid
SMILESCNC(=O)CNS(=O)(=O)c1cc(C(=O)O)ccc1Cl
InChIInChI=1S/C10H11ClN2O5S/c1-12-9(14)5-13-19(17,18)8-4-6(10(15)16)2-3-7(8)11/h2-4,13H,5H2,1H3,(H,12,14)(H,15,16)
InChIKeyIORQTCBXCDJVJM-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

4-methyl-3-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid
CID 43214879
3-(2-carboxyethylsulfamoyl)-4-chlorobenzoic acid
CID 2100657
2-chloro-5-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid
CID 43214152
4-chloro-3-(3-methoxypropylsulfamoyl)benzoic acid
CID 19096061
3-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-4-chlorobenzoic acid
CID 106168195
4-chloro-3-(pent-4-ynylsulfamoyl)benzoic acid
CID 114159893
4-chloro-3-(3-cyanopropylsulfamoyl)benzoic acid
CID 62665661
4-chloro-3-[(3-methylcyclopentyl)methylsulfamoyl]benzoic acid
CID 107411393
4-chloro-3-[(1-methylpyrrol-2-yl)methylsulfamoyl]benzoic acid
CID 106415051
4-chloro-3-(hex-5-ynylsulfamoyl)benzoic acid
CID 106208979
4-chloro-3-[(2-cyclopropyl-2-hydroxyethyl)sulfamoyl]benzoic acid
CID 63296325
4-chloro-3-[(1-ethoxy-1-oxopropan-2-yl)sulfamoyl]benzoic acid
CID 61498814

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid?
The IUPAC name of 4-chloro-3-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid (CID 43214151) is 4-chloro-3-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid.
What is the SMILES notation for 4-chloro-3-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid?
The canonical SMILES for 4-chloro-3-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid is CNC(=O)CNS(=O)(=O)c1cc(C(=O)O)ccc1Cl.
What is the InChIKey of 4-chloro-3-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid?
The InChIKey is IORQTCBXCDJVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O5S/c1-12-9(14)5-13-19(17,18)8-4-6(10(15)16)2-3-7(8)11/h2-4,13H,5H2,1H3,(H,12,14)(H,15,16).
What are the key properties of 4-chloro-3-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid?
4-chloro-3-[[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 4-chloro-3-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid is sourced from PubChem (CID 43214151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).