2-[(4-chloro-3-cyanophenyl)sulfamoyl]acetic acid

C9H7ClN2O4S — CID 43361980

IUPAC2-[(4-chloro-3-cyanophenyl)sulfamoyl]acetic acid
SMILESN#Cc1cc(NS(=O)(=O)CC(=O)O)ccc1Cl
InChIInChI=1S/C9H7ClN2O4S/c10-8-2-1-7(3-6(8)4-11)12-17(15,16)5-9(13)14/h1-3,12H,5H2,(H,13,14)
InChIKeyHSCKGODWFVBXAA-UHFFFAOYSA-N
MW274.69 g/mol
LogP1.04
Rot. Bonds4

About 2-[(4-chloro-3-cyanophenyl)sulfamoyl]acetic acid

2-[(4-chloro-3-cyanophenyl)sulfamoyl]acetic acid (PubChem CID 43361980) has the molecular formula C9H7ClN2O4S and a molecular weight of 274.69 g/mol. Its IUPAC name is 2-[(4-chloro-3-cyanophenyl)sulfamoyl]acetic acid.

Molecular Properties

Compound Name2-[(4-chloro-3-cyanophenyl)sulfamoyl]acetic acid
PubChem CID43361980
Molecular FormulaC9H7ClN2O4S
Molecular Weight274.69 g/mol
Exact Mass273.98
IUPAC Name2-[(4-chloro-3-cyanophenyl)sulfamoyl]acetic acid
SMILESN#Cc1cc(NS(=O)(=O)CC(=O)O)ccc1Cl
InChIInChI=1S/C9H7ClN2O4S/c10-8-2-1-7(3-6(8)4-11)12-17(15,16)5-9(13)14/h1-3,12H,5H2,(H,13,14)
InChIKeyHSCKGODWFVBXAA-UHFFFAOYSA-N
XLogP1.04
TPSA107.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.69
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-(4-chloro-3-cyanophenyl)-2-methylpropane-1-sulfonamide
CID 79585540
1-(4-aminophenyl)-N-(4-chloro-3-cyanophenyl)methanesulfonamide
CID 61107710
3-[(3,4-dicyanophenyl)sulfamoyl]propanoic acid
CID 114001558
2-[(3-chloro-4-nitrophenyl)sulfamoyl]acetic acid
CID 82861521
1-chloro-N-(3-chloro-4-cyanophenyl)methanesulfonamide
CID 63664296
1-bromo-N-(3-chloro-4-cyanophenyl)methanesulfonamide
CID 83084506
4-(bromomethyl)-N-(4-chloro-3-cyanophenyl)benzenesulfonamide
CID 65480606
2-(4-chloro-3-cyanoanilino)propanoic acid
CID 66173106
2-chloro-N-(4-chloro-3-cyanophenyl)pyrimidine-5-sulfonamide
CID 61053173
2-[(3-chloro-4-ethoxyphenyl)sulfamoyl]acetic acid
CID 60934471
4-amino-2-chloro-N-(4-chloro-3-cyanophenyl)benzenesulfonamide
CID 61107705
2-[(4-chloro-3-cyanophenyl)carbamoylamino]-2-ethylbutanoic acid
CID 139384614

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-3-cyanophenyl)sulfamoyl]acetic acid?
The IUPAC name of 2-[(4-chloro-3-cyanophenyl)sulfamoyl]acetic acid (CID 43361980) is 2-[(4-chloro-3-cyanophenyl)sulfamoyl]acetic acid.
What is the SMILES notation for 2-[(4-chloro-3-cyanophenyl)sulfamoyl]acetic acid?
The canonical SMILES for 2-[(4-chloro-3-cyanophenyl)sulfamoyl]acetic acid is N#Cc1cc(NS(=O)(=O)CC(=O)O)ccc1Cl.
What is the InChIKey of 2-[(4-chloro-3-cyanophenyl)sulfamoyl]acetic acid?
The InChIKey is HSCKGODWFVBXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O4S/c10-8-2-1-7(3-6(8)4-11)12-17(15,16)5-9(13)14/h1-3,12H,5H2,(H,13,14).
What are the key properties of 2-[(4-chloro-3-cyanophenyl)sulfamoyl]acetic acid?
2-[(4-chloro-3-cyanophenyl)sulfamoyl]acetic acid has a molecular weight of 274.69 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-3-cyanophenyl)sulfamoyl]acetic acid is sourced from PubChem (CID 43361980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).