N-[2-[(4-hydroxyphenyl)sulfamoyl]phenyl]formamide

C13H12N2O4S — CID 168652543

IUPACN-[2-[(4-hydroxyphenyl)sulfamoyl]phenyl]formamide
SMILESO=CNc1ccccc1S(=O)(=O)Nc1ccc(O)cc1
InChIInChI=1S/C13H12N2O4S/c16-9-14-12-3-1-2-4-13(12)20(18,19)15-10-5-7-11(17)8-6-10/h1-9,15,17H,(H,14,16)
InChIKeyBNSFWRRRQGZXTC-UHFFFAOYSA-N
MW292.32 g/mol
LogP1.76
Rot. Bonds5

About N-[2-[(4-hydroxyphenyl)sulfamoyl]phenyl]formamide

N-[2-[(4-hydroxyphenyl)sulfamoyl]phenyl]formamide (PubChem CID 168652543) has the molecular formula C13H12N2O4S and a molecular weight of 292.32 g/mol. Its IUPAC name is N-[2-[(4-hydroxyphenyl)sulfamoyl]phenyl]formamide.

Molecular Properties

Compound NameN-[2-[(4-hydroxyphenyl)sulfamoyl]phenyl]formamide
PubChem CID168652543
Molecular FormulaC13H12N2O4S
Molecular Weight292.32 g/mol
Exact Mass292.05
IUPAC NameN-[2-[(4-hydroxyphenyl)sulfamoyl]phenyl]formamide
SMILESO=CNc1ccccc1S(=O)(=O)Nc1ccc(O)cc1
InChIInChI=1S/C13H12N2O4S/c16-9-14-12-3-1-2-4-13(12)20(18,19)15-10-5-7-11(17)8-6-10/h1-9,15,17H,(H,14,16)
InChIKeyBNSFWRRRQGZXTC-UHFFFAOYSA-N
XLogP1.76
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-(2,3-dihydroxypropylamino)-N-(4-hydroxyphenyl)benzenesulfonamide
CID 168595239
N-(4-fluorophenyl)-2-hydroxybenzenesulfonamide
CID 80503785
2-hydrazinyl-N-pyridin-4-ylbenzenesulfonamide
CID 43383529
N-[2-[(4-chlorophenyl)sulfamoyl]phenyl]prop-2-enamide
CID 58715951
N-[2-[(4-methylphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 22483846
N-[2,5-dimethoxy-4-(phenylsulfamoyl)phenyl]formamide
CID 168651398
1-N,2-N-bis(4-methylphenyl)benzene-1,2-disulfonamide
CID 23387080
2-methyl-N-[2-[(4-methylphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 22483839
ethane;N-(4-hydroxyphenyl)formamide;methanamine
CID 145229488
N-[2-(phenoxymethylsulfonyl)phenyl]formamide
CID 168652907
N-[2-[(4-propylphenyl)sulfamoyl]phenyl]propanamide
CID 142971954
5-cyano-N-(4-hydroxyphenyl)thiophene-2-sulfonamide
CID 106269600

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-hydroxyphenyl)sulfamoyl]phenyl]formamide?
The IUPAC name of N-[2-[(4-hydroxyphenyl)sulfamoyl]phenyl]formamide (CID 168652543) is N-[2-[(4-hydroxyphenyl)sulfamoyl]phenyl]formamide.
What is the SMILES notation for N-[2-[(4-hydroxyphenyl)sulfamoyl]phenyl]formamide?
The canonical SMILES for N-[2-[(4-hydroxyphenyl)sulfamoyl]phenyl]formamide is O=CNc1ccccc1S(=O)(=O)Nc1ccc(O)cc1.
What is the InChIKey of N-[2-[(4-hydroxyphenyl)sulfamoyl]phenyl]formamide?
The InChIKey is BNSFWRRRQGZXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4S/c16-9-14-12-3-1-2-4-13(12)20(18,19)15-10-5-7-11(17)8-6-10/h1-9,15,17H,(H,14,16).
What are the key properties of N-[2-[(4-hydroxyphenyl)sulfamoyl]phenyl]formamide?
N-[2-[(4-hydroxyphenyl)sulfamoyl]phenyl]formamide has a molecular weight of 292.32 g/mol, XLogP of 1.76, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-hydroxyphenyl)sulfamoyl]phenyl]formamide is sourced from PubChem (CID 168652543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).