2-[(4-aminophenyl)sulfonylmethyl]-4-hydroxybenzamide

C14H14N2O4S — CID 157028392

IUPAC2-[(4-aminophenyl)sulfonylmethyl]-4-hydroxybenzamide
SMILESNC(=O)c1ccc(O)cc1CS(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C14H14N2O4S/c15-10-1-4-12(5-2-10)21(19,20)8-9-7-11(17)3-6-13(9)14(16)18/h1-7,17H,8,15H2,(H2,16,18)
InChIKeyATLDVUDQKSHIGE-UHFFFAOYSA-N
MW306.34 g/mol
LogP1.05
Rot. Bonds4

About 2-[(4-aminophenyl)sulfonylmethyl]-4-hydroxybenzamide

2-[(4-aminophenyl)sulfonylmethyl]-4-hydroxybenzamide (PubChem CID 157028392) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is 2-[(4-aminophenyl)sulfonylmethyl]-4-hydroxybenzamide.

Molecular Properties

Compound Name2-[(4-aminophenyl)sulfonylmethyl]-4-hydroxybenzamide
PubChem CID157028392
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC Name2-[(4-aminophenyl)sulfonylmethyl]-4-hydroxybenzamide
SMILESNC(=O)c1ccc(O)cc1CS(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C14H14N2O4S/c15-10-1-4-12(5-2-10)21(19,20)8-9-7-11(17)3-6-13(9)14(16)18/h1-7,17H,8,15H2,(H2,16,18)
InChIKeyATLDVUDQKSHIGE-UHFFFAOYSA-N
XLogP1.05
TPSA123.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-aminophenyl)sulfonylmethyl]benzamide
CID 81180661
4-[2-[(4-aminophenyl)sulfonylmethyl]phenyl]benzamide
CID 170161061
4-[(4-aminophenyl)sulfonylmethyl]aniline
CID 571742
4-[(5-methyl-1,3,4-thiadiazol-2-yl)methylsulfonyl]aniline;4-[(5-methyl-1,3,4-thiadiazol-2-yl)methylsulfonyl]phenol
CID 162153896
2-bromo-4-hydroxybenzamide
CID 103693582
2-[(4-amino-2-fluorophenyl)sulfonylmethyl]benzamide
CID 81185011
3-(4-aminophenyl)sulfonylpropanamide
CID 61367837
4-[[4-[(4-hydroxyphenyl)methylsulfonyl]phenyl]sulfonylmethyl]phenol
CID 70503031
4-(4-aminophenyl)sulfonylbenzene-1,3-diol
CID 23274890
2-[(4-aminophenyl)sulfonylmethyl]benzonitrile
CID 61367448
4-[(2-nitrophenyl)methylsulfonyl]aniline
CID 61368787
2-(4-aminophenyl)sulfonyl-N-(diaminomethylidene)acetamide
CID 154194116

Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminophenyl)sulfonylmethyl]-4-hydroxybenzamide?
The IUPAC name of 2-[(4-aminophenyl)sulfonylmethyl]-4-hydroxybenzamide (CID 157028392) is 2-[(4-aminophenyl)sulfonylmethyl]-4-hydroxybenzamide.
What is the SMILES notation for 2-[(4-aminophenyl)sulfonylmethyl]-4-hydroxybenzamide?
The canonical SMILES for 2-[(4-aminophenyl)sulfonylmethyl]-4-hydroxybenzamide is NC(=O)c1ccc(O)cc1CS(=O)(=O)c1ccc(N)cc1.
What is the InChIKey of 2-[(4-aminophenyl)sulfonylmethyl]-4-hydroxybenzamide?
The InChIKey is ATLDVUDQKSHIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S/c15-10-1-4-12(5-2-10)21(19,20)8-9-7-11(17)3-6-13(9)14(16)18/h1-7,17H,8,15H2,(H2,16,18).
What are the key properties of 2-[(4-aminophenyl)sulfonylmethyl]-4-hydroxybenzamide?
2-[(4-aminophenyl)sulfonylmethyl]-4-hydroxybenzamide has a molecular weight of 306.34 g/mol, XLogP of 1.05, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminophenyl)sulfonylmethyl]-4-hydroxybenzamide is sourced from PubChem (CID 157028392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).