2-[(4-chloro-2-iodophenyl)sulfamoyl]acetic acid

C8H7ClINO4S — CID 107624863

IUPAC2-[(4-chloro-2-iodophenyl)sulfamoyl]acetic acid
SMILESO=C(O)CS(=O)(=O)Nc1ccc(Cl)cc1I
InChIInChI=1S/C8H7ClINO4S/c9-5-1-2-7(6(10)3-5)11-16(14,15)4-8(12)13/h1-3,11H,4H2,(H,12,13)
InChIKeyWLSKMJGHHZPLOF-UHFFFAOYSA-N
MW375.57 g/mol
LogP1.77
Rot. Bonds4

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

2-[(4-chloro-2-iodophenyl)sulfamoyl]acetic acid (PubChem CID 107624863) has the molecular formula C8H7ClINO4S and a molecular weight of 375.57 g/mol. Its IUPAC name is 2-[(4-chloro-2-iodophenyl)sulfamoyl]acetic acid.

Molecular Properties

Compound Name2-[(4-chloro-2-iodophenyl)sulfamoyl]acetic acid
PubChem CID107624863
Molecular FormulaC8H7ClINO4S
Molecular Weight375.57 g/mol
Exact Mass374.88
IUPAC Name2-[(4-chloro-2-iodophenyl)sulfamoyl]acetic acid
SMILESO=C(O)CS(=O)(=O)Nc1ccc(Cl)cc1I
InChIInChI=1S/C8H7ClINO4S/c9-5-1-2-7(6(10)3-5)11-16(14,15)4-8(12)13/h1-3,11H,4H2,(H,12,13)
InChIKeyWLSKMJGHHZPLOF-UHFFFAOYSA-N
XLogP1.77
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.57
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[(5-chloro-2-methoxycarbonylphenyl)sulfamoyl]acetic acid
CID 43361877
ethyl 3-[(4-chloro-2-iodophenyl)sulfamoyl]propanoate
CID 103764005
2-[[5-chloro-2-(dimethylcarbamoyl)phenyl]sulfamoyl]acetic acid
CID 43697977
2-[(4-bromo-2-fluorophenyl)sulfamoyl]acetic acid
CID 28774124
4-acetyl-N-(4-chloro-2-iodophenyl)benzenesulfonamide
CID 103763982
5-(4-chloro-2-iodoanilino)-5-oxopentanoic acid
CID 104573932
2-bromo-N-(4-chloro-2-iodophenyl)acetamide
CID 107624932
4-(bromomethyl)-N-(4-chloro-2-iodophenyl)benzenesulfonamide
CID 107629608
(2S)-2-[(4-chloro-2-iodophenyl)carbamoylamino]-3-hydroxypropanoic acid
CID 107628559
4-amino-2,6-dichloro-N-(4-chloro-2-iodophenyl)benzenesulfonamide
CID 107624642
ethyl 2-[(2-bromo-4-chlorophenyl)sulfamoyl]acetate
CID 81274474
2-(aminomethyl)-N-(4-chloro-2-iodophenyl)benzenesulfonamide
CID 106087423

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-2-iodophenyl)sulfamoyl]acetic acid?
The IUPAC name of 2-[(4-chloro-2-iodophenyl)sulfamoyl]acetic acid (CID 107624863) is 2-[(4-chloro-2-iodophenyl)sulfamoyl]acetic acid.
What is the SMILES notation for 2-[(4-chloro-2-iodophenyl)sulfamoyl]acetic acid?
The canonical SMILES for 2-[(4-chloro-2-iodophenyl)sulfamoyl]acetic acid is O=C(O)CS(=O)(=O)Nc1ccc(Cl)cc1I.
What is the InChIKey of 2-[(4-chloro-2-iodophenyl)sulfamoyl]acetic acid?
The InChIKey is WLSKMJGHHZPLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClINO4S/c9-5-1-2-7(6(10)3-5)11-16(14,15)4-8(12)13/h1-3,11H,4H2,(H,12,13).
What are the key properties of 2-[(4-chloro-2-iodophenyl)sulfamoyl]acetic acid?
2-[(4-chloro-2-iodophenyl)sulfamoyl]acetic acid has a molecular weight of 375.57 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-2-iodophenyl)sulfamoyl]acetic acid is sourced from PubChem (CID 107624863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).