4-[(4-chloro-3-sulfamoylbenzoyl)-hydrazinylamino]benzoic acid

C14H13ClN4O5S — CID 19858166

IUPAC4-[(4-chloro-3-sulfamoylbenzoyl)-hydrazinylamino]benzoic acid
SMILESNNN(C(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)c1ccc(C(=O)O)cc1
InChIInChI=1S/C14H13ClN4O5S/c15-11-6-3-9(7-12(11)25(17,23)24)13(20)19(18-16)10-4-1-8(2-5-10)14(21)22/h1-7,18H,16H2,(H,21,22)(H2,17,23,24)
InChIKeyNIPNUBUAAXPJCC-UHFFFAOYSA-N
MW384.80 g/mol
LogP0.71
Rot. Bonds5

About 4-[(4-chloro-3-sulfamoylbenzoyl)-hydrazinylamino]benzoic acid

4-[(4-chloro-3-sulfamoylbenzoyl)-hydrazinylamino]benzoic acid (PubChem CID 19858166) has the molecular formula C14H13ClN4O5S and a molecular weight of 384.80 g/mol. Its IUPAC name is 4-[(4-chloro-3-sulfamoylbenzoyl)-hydrazinylamino]benzoic acid.

Molecular Properties

Compound Name4-[(4-chloro-3-sulfamoylbenzoyl)-hydrazinylamino]benzoic acid
PubChem CID19858166
Molecular FormulaC14H13ClN4O5S
Molecular Weight384.80 g/mol
Exact Mass384.03
IUPAC Name4-[(4-chloro-3-sulfamoylbenzoyl)-hydrazinylamino]benzoic acid
SMILESNNN(C(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)c1ccc(C(=O)O)cc1
InChIInChI=1S/C14H13ClN4O5S/c15-11-6-3-9(7-12(11)25(17,23)24)13(20)19(18-16)10-4-1-8(2-5-10)14(21)22/h1-7,18H,16H2,(H,21,22)(H2,17,23,24)
InChIKeyNIPNUBUAAXPJCC-UHFFFAOYSA-N
XLogP0.71
TPSA155.82 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.80
LogP ≤ 50.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-3-sulfamoylbenzoyl)-hydrazinylamino]benzoic acid?
The IUPAC name of 4-[(4-chloro-3-sulfamoylbenzoyl)-hydrazinylamino]benzoic acid (CID 19858166) is 4-[(4-chloro-3-sulfamoylbenzoyl)-hydrazinylamino]benzoic acid.
What is the SMILES notation for 4-[(4-chloro-3-sulfamoylbenzoyl)-hydrazinylamino]benzoic acid?
The canonical SMILES for 4-[(4-chloro-3-sulfamoylbenzoyl)-hydrazinylamino]benzoic acid is NNN(C(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[(4-chloro-3-sulfamoylbenzoyl)-hydrazinylamino]benzoic acid?
The InChIKey is NIPNUBUAAXPJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O5S/c15-11-6-3-9(7-12(11)25(17,23)24)13(20)19(18-16)10-4-1-8(2-5-10)14(21)22/h1-7,18H,16H2,(H,21,22)(H2,17,23,24).
What are the key properties of 4-[(4-chloro-3-sulfamoylbenzoyl)-hydrazinylamino]benzoic acid?
4-[(4-chloro-3-sulfamoylbenzoyl)-hydrazinylamino]benzoic acid has a molecular weight of 384.80 g/mol, XLogP of 0.71, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-3-sulfamoylbenzoyl)-hydrazinylamino]benzoic acid is sourced from PubChem (CID 19858166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).