N-[4-[(4-hydroxyphenyl)sulfamoyl]-2-sulfanylphenyl]acetamide

C14H14N2O4S2 — CID 166176655

IUPACN-[4-[(4-hydroxyphenyl)sulfamoyl]-2-sulfanylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(O)cc2)cc1S
InChIInChI=1S/C14H14N2O4S2/c1-9(17)15-13-7-6-12(8-14(13)21)22(19,20)16-10-2-4-11(18)5-3-10/h2-8,16,18,21H,1H3,(H,15,17)
InChIKeyRWOFMYJLUAKQLB-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.44
Rot. Bonds4

About N-[4-[(4-hydroxyphenyl)sulfamoyl]-2-sulfanylphenyl]acetamide

N-[4-[(4-hydroxyphenyl)sulfamoyl]-2-sulfanylphenyl]acetamide (PubChem CID 166176655) has the molecular formula C14H14N2O4S2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[4-[(4-hydroxyphenyl)sulfamoyl]-2-sulfanylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(4-hydroxyphenyl)sulfamoyl]-2-sulfanylphenyl]acetamide
PubChem CID166176655
Molecular FormulaC14H14N2O4S2
Molecular Weight338.41 g/mol
Exact Mass338.04
IUPAC NameN-[4-[(4-hydroxyphenyl)sulfamoyl]-2-sulfanylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(O)cc2)cc1S
InChIInChI=1S/C14H14N2O4S2/c1-9(17)15-13-7-6-12(8-14(13)21)22(19,20)16-10-2-4-11(18)5-3-10/h2-8,16,18,21H,1H3,(H,15,17)
InChIKeyRWOFMYJLUAKQLB-UHFFFAOYSA-N
XLogP2.44
TPSA95.50 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(3-hydroxyphenyl)sulfonylamino]phenyl]acetamide
CID 81264893
4-chloro-N-(4-hydroxyphenyl)-3-methylbenzenesulfonamide
CID 697402
2-carboxy-4-[(4-hydroxyphenyl)sulfamoyl]phenolate
CID 54677693
(2R)-3,3,3-trifluoro-N-[2-fluoro-4-[(4-hydroxyphenyl)sulfamoyl]phenyl]-2-hydroxy-2-methylpropanamide
CID 20610356
N-[2-methoxy-5-[(4-sulfamoylphenyl)sulfamoyl]phenyl]acetamide
CID 26951375
4-fluoro-N-(4-hydroxyphenyl)benzenesulfonamide
CID 764850
4-bromo-N-(4-hydroxyphenyl)benzenesulfonamide
CID 875203
N-[4-[[4-(propan-2-ylamino)phenyl]sulfamoyl]phenyl]acetamide
CID 112979916
N-[4-[(3,4-dichlorophenyl)sulfonylamino]-2-methoxyphenyl]acetamide
CID 55902732
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(4-hydroxyphenyl)benzamide
CID 112771839
N-(4-hydroxyphenyl)-4-[4-[(4-hydroxyphenyl)sulfamoyl]phenoxy]benzenesulfonamide
CID 129257793
N-[2-fluoro-5-[[4-(trifluoromethyl)phenyl]sulfonylamino]phenyl]acetamide
CID 55537416

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-hydroxyphenyl)sulfamoyl]-2-sulfanylphenyl]acetamide?
The IUPAC name of N-[4-[(4-hydroxyphenyl)sulfamoyl]-2-sulfanylphenyl]acetamide (CID 166176655) is N-[4-[(4-hydroxyphenyl)sulfamoyl]-2-sulfanylphenyl]acetamide.
What is the SMILES notation for N-[4-[(4-hydroxyphenyl)sulfamoyl]-2-sulfanylphenyl]acetamide?
The canonical SMILES for N-[4-[(4-hydroxyphenyl)sulfamoyl]-2-sulfanylphenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(O)cc2)cc1S.
What is the InChIKey of N-[4-[(4-hydroxyphenyl)sulfamoyl]-2-sulfanylphenyl]acetamide?
The InChIKey is RWOFMYJLUAKQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S2/c1-9(17)15-13-7-6-12(8-14(13)21)22(19,20)16-10-2-4-11(18)5-3-10/h2-8,16,18,21H,1H3,(H,15,17).
What are the key properties of N-[4-[(4-hydroxyphenyl)sulfamoyl]-2-sulfanylphenyl]acetamide?
N-[4-[(4-hydroxyphenyl)sulfamoyl]-2-sulfanylphenyl]acetamide has a molecular weight of 338.41 g/mol, XLogP of 2.44, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-hydroxyphenyl)sulfamoyl]-2-sulfanylphenyl]acetamide is sourced from PubChem (CID 166176655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).