4-[(2-cyanophenyl)methylsulfonylamino]-2-hydroxybenzoic acid

C15H12N2O5S — CID 45330184

IUPAC4-[(2-cyanophenyl)methylsulfonylamino]-2-hydroxybenzoic acid
SMILESN#Cc1ccccc1CS(=O)(=O)Nc1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C15H12N2O5S/c16-8-10-3-1-2-4-11(10)9-23(21,22)17-12-5-6-13(15(19)20)14(18)7-12/h1-7,17-18H,9H2,(H,19,20)
InChIKeyGGDBZHOHGYCLMS-UHFFFAOYSA-N
MW332.34 g/mol
LogP1.90
Rot. Bonds5

About 4-[(2-cyanophenyl)methylsulfonylamino]-2-hydroxybenzoic acid

4-[(2-cyanophenyl)methylsulfonylamino]-2-hydroxybenzoic acid (PubChem CID 45330184) has the molecular formula C15H12N2O5S and a molecular weight of 332.34 g/mol. Its IUPAC name is 4-[(2-cyanophenyl)methylsulfonylamino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-[(2-cyanophenyl)methylsulfonylamino]-2-hydroxybenzoic acid
PubChem CID45330184
Molecular FormulaC15H12N2O5S
Molecular Weight332.34 g/mol
Exact Mass332.05
IUPAC Name4-[(2-cyanophenyl)methylsulfonylamino]-2-hydroxybenzoic acid
SMILESN#Cc1ccccc1CS(=O)(=O)Nc1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C15H12N2O5S/c16-8-10-3-1-2-4-11(10)9-23(21,22)17-12-5-6-13(15(19)20)14(18)7-12/h1-7,17-18H,9H2,(H,19,20)
InChIKeyGGDBZHOHGYCLMS-UHFFFAOYSA-N
XLogP1.90
TPSA127.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.34
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(benzylsulfonylamino)-2-hydroxybenzoyl]oxy-4-[(2-cyanophenyl)methylsulfonylamino]benzoic acid
CID 123377503
1-(2-cyanophenyl)-N-(4-ethylphenyl)methanesulfonamide
CID 29267673
N-(5-chloro-2-hydroxyphenyl)-1-(2-cyanophenyl)methanesulfonamide
CID 28895851
1-(2-cyanophenyl)-N-thiophen-3-ylmethanesulfonamide
CID 66354772
4-(chlorosulfonylamino)-2-hydroxybenzoic acid
CID 175169108
1-(2-cyanophenyl)-N-(6-methoxy-3-pyridinyl)methanesulfonamide
CID 29037208
2-[(2-cyanophenyl)methylsulfonylamino]-2-ethylbutanoic acid
CID 79814363
2-[(2-cyanophenyl)methylsulfonylamino]-3-hydroxypropanoic acid
CID 43080450
3-[(2-cyanophenyl)methylsulfonylamino]propanamide
CID 43553730
1-(2-cyanophenyl)-N-(2,4-dibromophenyl)methanesulfonamide
CID 60681030
2-[(2-cyanophenyl)methylsulfonylamino]-4-hydroxybutanoic acid
CID 61244813
1-[[(2-cyanophenyl)methylsulfonylamino]methyl]cyclobutane-1-carboxylic acid
CID 115445360

Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyanophenyl)methylsulfonylamino]-2-hydroxybenzoic acid?
The IUPAC name of 4-[(2-cyanophenyl)methylsulfonylamino]-2-hydroxybenzoic acid (CID 45330184) is 4-[(2-cyanophenyl)methylsulfonylamino]-2-hydroxybenzoic acid.
What is the SMILES notation for 4-[(2-cyanophenyl)methylsulfonylamino]-2-hydroxybenzoic acid?
The canonical SMILES for 4-[(2-cyanophenyl)methylsulfonylamino]-2-hydroxybenzoic acid is N#Cc1ccccc1CS(=O)(=O)Nc1ccc(C(=O)O)c(O)c1.
What is the InChIKey of 4-[(2-cyanophenyl)methylsulfonylamino]-2-hydroxybenzoic acid?
The InChIKey is GGDBZHOHGYCLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O5S/c16-8-10-3-1-2-4-11(10)9-23(21,22)17-12-5-6-13(15(19)20)14(18)7-12/h1-7,17-18H,9H2,(H,19,20).
What are the key properties of 4-[(2-cyanophenyl)methylsulfonylamino]-2-hydroxybenzoic acid?
4-[(2-cyanophenyl)methylsulfonylamino]-2-hydroxybenzoic acid has a molecular weight of 332.34 g/mol, XLogP of 1.90, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyanophenyl)methylsulfonylamino]-2-hydroxybenzoic acid is sourced from PubChem (CID 45330184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).