2-[4-[(3-chlorophenyl)sulfamoyl]phenyl]acetic acid

C14H12ClNO4S — CID 43440440

IUPAC2-[4-[(3-chlorophenyl)sulfamoyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C14H12ClNO4S/c15-11-2-1-3-12(9-11)16-21(19,20)13-6-4-10(5-7-13)8-14(17)18/h1-7,9,16H,8H2,(H,17,18)
InChIKeyNPFSOUFYXWPMBB-UHFFFAOYSA-N
MW325.77 g/mol
LogP2.77
Rot. Bonds5

About 2-[4-[(3-chlorophenyl)sulfamoyl]phenyl]acetic acid

2-[4-[(3-chlorophenyl)sulfamoyl]phenyl]acetic acid (PubChem CID 43440440) has the molecular formula C14H12ClNO4S and a molecular weight of 325.77 g/mol. Its IUPAC name is 2-[4-[(3-chlorophenyl)sulfamoyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(3-chlorophenyl)sulfamoyl]phenyl]acetic acid
PubChem CID43440440
Molecular FormulaC14H12ClNO4S
Molecular Weight325.77 g/mol
Exact Mass325.02
IUPAC Name2-[4-[(3-chlorophenyl)sulfamoyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C14H12ClNO4S/c15-11-2-1-3-12(9-11)16-21(19,20)13-6-4-10(5-7-13)8-14(17)18/h1-7,9,16H,8H2,(H,17,18)
InChIKeyNPFSOUFYXWPMBB-UHFFFAOYSA-N
XLogP2.77
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.77
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(3-hydroxyphenyl)sulfamoyl]phenyl]acetic acid
CID 61167886
2-[4-[(3-methoxyphenyl)sulfamoyl]phenyl]acetic acid
CID 69449790
N-(3-chlorophenyl)-4-iodobenzenesulfonamide
CID 3419372
N-(3-chlorophenyl)-4-pentylbenzenesulfonamide
CID 3741817
2-[4-[(4-hydroxyphenyl)sulfamoyl]phenyl]acetic acid
CID 43714781
N-(3-chlorophenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzenesulfonamide
CID 16644480
2-[4-[(3-chlorophenyl)methylsulfonyl]phenyl]acetic acid
CID 43440403
2-(4-chlorophenyl)-N-[4-(phenylsulfamoyl)phenyl]acetamide
CID 4936631
N-(3-chlorophenyl)-4-[(1,3-dioxoisoindol-2-yl)methyl]benzenesulfonamide
CID 17016382
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetic acid
CID 672063
3-(benzenesulfonamido)-N-(3-chlorophenyl)benzamide
CID 7541939
2-[2-[3-[(4-chlorophenyl)sulfonylamino]phenyl]ethyl]benzoic acid
CID 68688369

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-chlorophenyl)sulfamoyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[(3-chlorophenyl)sulfamoyl]phenyl]acetic acid (CID 43440440) is 2-[4-[(3-chlorophenyl)sulfamoyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(3-chlorophenyl)sulfamoyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(3-chlorophenyl)sulfamoyl]phenyl]acetic acid is O=C(O)Cc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1.
What is the InChIKey of 2-[4-[(3-chlorophenyl)sulfamoyl]phenyl]acetic acid?
The InChIKey is NPFSOUFYXWPMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO4S/c15-11-2-1-3-12(9-11)16-21(19,20)13-6-4-10(5-7-13)8-14(17)18/h1-7,9,16H,8H2,(H,17,18).
What are the key properties of 2-[4-[(3-chlorophenyl)sulfamoyl]phenyl]acetic acid?
2-[4-[(3-chlorophenyl)sulfamoyl]phenyl]acetic acid has a molecular weight of 325.77 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-chlorophenyl)sulfamoyl]phenyl]acetic acid is sourced from PubChem (CID 43440440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).