3-[(4-amino-2-hydroxyphenyl)carbamoyl]benzenesulfonyl fluoride

C13H11FN2O4S — CID 5220396

IUPAC3-[(4-amino-2-hydroxyphenyl)carbamoyl]benzenesulfonyl fluoride
SMILESNc1ccc(NC(=O)c2cccc(S(=O)(=O)F)c2)c(O)c1
InChIInChI=1S/C13H11FN2O4S/c14-21(19,20)10-3-1-2-8(6-10)13(18)16-11-5-4-9(15)7-12(11)17/h1-7,17H,15H2,(H,16,18)
InChIKeyRGHWNQBLENHHHG-UHFFFAOYSA-N
MW310.31 g/mol
LogP1.88
Rot. Bonds3

About 3-[(4-amino-2-hydroxyphenyl)carbamoyl]benzenesulfonyl fluoride

3-[(4-amino-2-hydroxyphenyl)carbamoyl]benzenesulfonyl fluoride (PubChem CID 5220396) has the molecular formula C13H11FN2O4S and a molecular weight of 310.31 g/mol. Its IUPAC name is 3-[(4-amino-2-hydroxyphenyl)carbamoyl]benzenesulfonyl fluoride.

Molecular Properties

Compound Name3-[(4-amino-2-hydroxyphenyl)carbamoyl]benzenesulfonyl fluoride
PubChem CID5220396
Molecular FormulaC13H11FN2O4S
Molecular Weight310.31 g/mol
Exact Mass310.04
IUPAC Name3-[(4-amino-2-hydroxyphenyl)carbamoyl]benzenesulfonyl fluoride
SMILESNc1ccc(NC(=O)c2cccc(S(=O)(=O)F)c2)c(O)c1
InChIInChI=1S/C13H11FN2O4S/c14-21(19,20)10-3-1-2-8(6-10)13(18)16-11-5-4-9(15)7-12(11)17/h1-7,17H,15H2,(H,16,18)
InChIKeyRGHWNQBLENHHHG-UHFFFAOYSA-N
XLogP1.88
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2-chlorophenyl)-3-methylsulfonylbenzamide
CID 16773286
N-(4-amino-2-hydroxyphenyl)-4-chlorobenzamide
CID 3264738
5-[(3-fluorosulfonylbenzoyl)amino]-1-hydroxynaphthalene-2-carboxylic acid
CID 23456165
3-(diethylsulfamoyl)-N-(2-hydroxyphenyl)benzamide
CID 793744
3-amino-N-(2-hydroxy-4-propylphenyl)benzamide
CID 20667031
N-(5-amino-2-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 120569015
N-(3-hydroxy-2-methylphenyl)-3-methylsulfonylbenzamide
CID 64792707
N-(4-amino-2-bromophenyl)-3-hydroxybenzamide
CID 43549560
N-(2,4-difluoro-3-methylphenyl)-3-sulfamoylbenzamide
CID 153066549
4-amino-N-[4-[4-[(4-aminobenzoyl)amino]-3-hydroxyphenyl]-2-hydroxyphenyl]benzamide
CID 18986447
3-[[3-(bromomethyl)phenyl]carbamoyl]benzenesulfonyl fluoride
CID 125468112
3-amino-N-(2-methyl-5-sulfamoylphenyl)benzamide
CID 43710895

Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-2-hydroxyphenyl)carbamoyl]benzenesulfonyl fluoride?
The IUPAC name of 3-[(4-amino-2-hydroxyphenyl)carbamoyl]benzenesulfonyl fluoride (CID 5220396) is 3-[(4-amino-2-hydroxyphenyl)carbamoyl]benzenesulfonyl fluoride.
What is the SMILES notation for 3-[(4-amino-2-hydroxyphenyl)carbamoyl]benzenesulfonyl fluoride?
The canonical SMILES for 3-[(4-amino-2-hydroxyphenyl)carbamoyl]benzenesulfonyl fluoride is Nc1ccc(NC(=O)c2cccc(S(=O)(=O)F)c2)c(O)c1.
What is the InChIKey of 3-[(4-amino-2-hydroxyphenyl)carbamoyl]benzenesulfonyl fluoride?
The InChIKey is RGHWNQBLENHHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O4S/c14-21(19,20)10-3-1-2-8(6-10)13(18)16-11-5-4-9(15)7-12(11)17/h1-7,17H,15H2,(H,16,18).
What are the key properties of 3-[(4-amino-2-hydroxyphenyl)carbamoyl]benzenesulfonyl fluoride?
3-[(4-amino-2-hydroxyphenyl)carbamoyl]benzenesulfonyl fluoride has a molecular weight of 310.31 g/mol, XLogP of 1.88, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-amino-2-hydroxyphenyl)carbamoyl]benzenesulfonyl fluoride is sourced from PubChem (CID 5220396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).