3-[(2-amino-2-oxoethyl)sulfamoyl]-5-chloro-2-fluorobenzoic acid

C9H8ClFN2O5S — CID 43141064

IUPAC3-[(2-amino-2-oxoethyl)sulfamoyl]-5-chloro-2-fluorobenzoic acid
SMILESNC(=O)CNS(=O)(=O)c1cc(Cl)cc(C(=O)O)c1F
InChIInChI=1S/C9H8ClFN2O5S/c10-4-1-5(9(15)16)8(11)6(2-4)19(17,18)13-3-7(12)14/h1-2,13H,3H2,(H2,12,14)(H,15,16)
InChIKeyUZLWCYWFUDDAEQ-UHFFFAOYSA-N
MW310.69 g/mol
LogP-0.06
Rot. Bonds5

About 3-[(2-amino-2-oxoethyl)sulfamoyl]-5-chloro-2-fluorobenzoic acid

3-[(2-amino-2-oxoethyl)sulfamoyl]-5-chloro-2-fluorobenzoic acid (PubChem CID 43141064) has the molecular formula C9H8ClFN2O5S and a molecular weight of 310.69 g/mol. Its IUPAC name is 3-[(2-amino-2-oxoethyl)sulfamoyl]-5-chloro-2-fluorobenzoic acid.

Molecular Properties

Compound Name3-[(2-amino-2-oxoethyl)sulfamoyl]-5-chloro-2-fluorobenzoic acid
PubChem CID43141064
Molecular FormulaC9H8ClFN2O5S
Molecular Weight310.69 g/mol
Exact Mass309.98
IUPAC Name3-[(2-amino-2-oxoethyl)sulfamoyl]-5-chloro-2-fluorobenzoic acid
SMILESNC(=O)CNS(=O)(=O)c1cc(Cl)cc(C(=O)O)c1F
InChIInChI=1S/C9H8ClFN2O5S/c10-4-1-5(9(15)16)8(11)6(2-4)19(17,18)13-3-7(12)14/h1-2,13H,3H2,(H2,12,14)(H,15,16)
InChIKeyUZLWCYWFUDDAEQ-UHFFFAOYSA-N
XLogP-0.06
TPSA126.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.69
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(3-Chlorophenyl)ethylsulfamoyl]benzoic acid
CID 45415334
3-[[2-(Hydroxyamino)-2-oxoethyl]sulfamoyl]benzoic acid
CID 137647728
3-[(1-Carboxy-2-methylpropyl)sulfamoyl]-4-chlorobenzoic acid
CID 4027155
4-Chloro-3-[(isopropylamino)sulfonyl]benzoic acid
CID 974897
2-Chloro-5-[(propan-2-yl)sulfamoyl]benzoic acid
CID 977914
4-Chloro-3-(cyclopropylsulfamoyl)benzoic acid
CID 4962178
4-Chloro-3-[(prop-2-en-1-yl)sulfamoyl]benzoic acid
CID 2555956
5-[(Carbamoylmethyl)sulfamoyl]-2-fluorobenzoic acid
CID 16767800
3-Chloro-2-fluoro-5-sulfamoylbenzoic acid
CID 71756491
4-Chloro-3-{[2-(4-fluorophenyl)ethyl]sulfamoyl}benzoic acid
CID 2341155
5-(Tert-butylsulfamoyl)-4-chloro-2-fluorobenzoic acid
CID 16775708
3-Chloro-2-fluoro-5-piperidin-1-ylsulfonylbenzoic acid
CID 20505891

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-2-oxoethyl)sulfamoyl]-5-chloro-2-fluorobenzoic acid?
The IUPAC name of 3-[(2-amino-2-oxoethyl)sulfamoyl]-5-chloro-2-fluorobenzoic acid (CID 43141064) is 3-[(2-amino-2-oxoethyl)sulfamoyl]-5-chloro-2-fluorobenzoic acid.
What is the SMILES notation for 3-[(2-amino-2-oxoethyl)sulfamoyl]-5-chloro-2-fluorobenzoic acid?
The canonical SMILES for 3-[(2-amino-2-oxoethyl)sulfamoyl]-5-chloro-2-fluorobenzoic acid is NC(=O)CNS(=O)(=O)c1cc(Cl)cc(C(=O)O)c1F.
What is the InChIKey of 3-[(2-amino-2-oxoethyl)sulfamoyl]-5-chloro-2-fluorobenzoic acid?
The InChIKey is UZLWCYWFUDDAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFN2O5S/c10-4-1-5(9(15)16)8(11)6(2-4)19(17,18)13-3-7(12)14/h1-2,13H,3H2,(H2,12,14)(H,15,16).
What are the key properties of 3-[(2-amino-2-oxoethyl)sulfamoyl]-5-chloro-2-fluorobenzoic acid?
3-[(2-amino-2-oxoethyl)sulfamoyl]-5-chloro-2-fluorobenzoic acid has a molecular weight of 310.69 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 3-[(2-amino-2-oxoethyl)sulfamoyl]-5-chloro-2-fluorobenzoic acid is sourced from PubChem (CID 43141064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).