5-[benzyl(phenyl)sulfamoyl]-2-chlorobenzoic acid

C20H16ClNO4S — CID 2389317

IUPAC5-[benzyl(phenyl)sulfamoyl]-2-chlorobenzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)ccc1Cl
InChIInChI=1S/C20H16ClNO4S/c21-19-12-11-17(13-18(19)20(23)24)27(25,26)22(16-9-5-2-6-10-16)14-15-7-3-1-4-8-15/h1-13H,14H2,(H,23,24)
InChIKeyGOSFAOHTFPQBIV-UHFFFAOYSA-N
MW401.87 g/mol
LogP4.43
Rot. Bonds6

About 5-[benzyl(phenyl)sulfamoyl]-2-chlorobenzoic acid

5-[benzyl(phenyl)sulfamoyl]-2-chlorobenzoic acid (PubChem CID 2389317) has the molecular formula C20H16ClNO4S and a molecular weight of 401.87 g/mol. Its IUPAC name is 5-[benzyl(phenyl)sulfamoyl]-2-chlorobenzoic acid.

Molecular Properties

Compound Name5-[benzyl(phenyl)sulfamoyl]-2-chlorobenzoic acid
PubChem CID2389317
Molecular FormulaC20H16ClNO4S
Molecular Weight401.87 g/mol
Exact Mass401.05
IUPAC Name5-[benzyl(phenyl)sulfamoyl]-2-chlorobenzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)ccc1Cl
InChIInChI=1S/C20H16ClNO4S/c21-19-12-11-17(13-18(19)20(23)24)27(25,26)22(16-9-5-2-6-10-16)14-15-7-3-1-4-8-15/h1-13H,14H2,(H,23,24)
InChIKeyGOSFAOHTFPQBIV-UHFFFAOYSA-N
XLogP4.43
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.87
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[Benzyl(methyl)sulfamoyl]-2-chlorobenzoic acid
CID 2380525
3-[Benzyl(4-chlorophenyl)sulfamoyl]-4-chlorobenzoic acid
CID 2357151
3-(Allyl-Phenyl-Sulfamoyl)-Benzoic Acid
CID 2386003
3-[Benzyl(phenyl)sulfamoyl]benzoic acid
CID 2389222
4-[(N-benzyl-4-chlorobenzenesulfonamido)methyl]benzoic acid
CID 2396278
3-[Benzyl(4-fluorophenyl)sulfamoyl]-4-chlorobenzoic acid
CID 3688235
2-[5-(Azepane-1-sulfonyl)-2-chloro-benzoylamino]-benzoic acid
CID 1043267
3-[Butyl(phenyl)sulfamoyl]benzoic acid
CID 2329095
5-[Benzyl-(3-trifluoromethyl-phenyl)-sulfamoyl]-2-chloro-benzoic acid
CID 2389220
3-[Benzyl(2-chlorophenyl)sulfamoyl]benzoic acid
CID 2385977
3-{Benzyl[3-(trifluoromethyl)phenyl]sulfamoyl}benzoic acid
CID 2357158
3-[Benzyl(phenyl)sulfamoyl]-4-chlorobenzoic acid
CID 2440137

Frequently Asked Questions

What is the IUPAC name of 5-[benzyl(phenyl)sulfamoyl]-2-chlorobenzoic acid?
The IUPAC name of 5-[benzyl(phenyl)sulfamoyl]-2-chlorobenzoic acid (CID 2389317) is 5-[benzyl(phenyl)sulfamoyl]-2-chlorobenzoic acid.
What is the SMILES notation for 5-[benzyl(phenyl)sulfamoyl]-2-chlorobenzoic acid?
The canonical SMILES for 5-[benzyl(phenyl)sulfamoyl]-2-chlorobenzoic acid is O=C(O)c1cc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)ccc1Cl.
What is the InChIKey of 5-[benzyl(phenyl)sulfamoyl]-2-chlorobenzoic acid?
The InChIKey is GOSFAOHTFPQBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClNO4S/c21-19-12-11-17(13-18(19)20(23)24)27(25,26)22(16-9-5-2-6-10-16)14-15-7-3-1-4-8-15/h1-13H,14H2,(H,23,24).
What are the key properties of 5-[benzyl(phenyl)sulfamoyl]-2-chlorobenzoic acid?
5-[benzyl(phenyl)sulfamoyl]-2-chlorobenzoic acid has a molecular weight of 401.87 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[benzyl(phenyl)sulfamoyl]-2-chlorobenzoic acid is sourced from PubChem (CID 2389317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).