N-amino-N-(4-sulfamoylanilino)benzamide

C13H14N4O3S — CID 175270267

IUPACN-amino-N-(4-sulfamoylanilino)benzamide
SMILESNN(Nc1ccc(S(N)(=O)=O)cc1)C(=O)c1ccccc1
InChIInChI=1S/C13H14N4O3S/c14-17(13(18)10-4-2-1-3-5-10)16-11-6-8-12(9-7-11)21(15,19)20/h1-9,16H,14H2,(H2,15,19,20)
InChIKeyYOAKWDNOURUKDV-UHFFFAOYSA-N
MW306.35 g/mol
LogP0.68
Rot. Bonds4

About N-amino-N-(4-sulfamoylanilino)benzamide

N-amino-N-(4-sulfamoylanilino)benzamide (PubChem CID 175270267) has the molecular formula C13H14N4O3S and a molecular weight of 306.35 g/mol. Its IUPAC name is N-amino-N-(4-sulfamoylanilino)benzamide.

Molecular Properties

Compound NameN-amino-N-(4-sulfamoylanilino)benzamide
PubChem CID175270267
Molecular FormulaC13H14N4O3S
Molecular Weight306.35 g/mol
Exact Mass306.08
IUPAC NameN-amino-N-(4-sulfamoylanilino)benzamide
SMILESNN(Nc1ccc(S(N)(=O)=O)cc1)C(=O)c1ccccc1
InChIInChI=1S/C13H14N4O3S/c14-17(13(18)10-4-2-1-3-5-10)16-11-6-8-12(9-7-11)21(15,19)20/h1-9,16H,14H2,(H2,15,19,20)
InChIKeyYOAKWDNOURUKDV-UHFFFAOYSA-N
XLogP0.68
TPSA118.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'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 N-amino-N-(4-sulfamoylanilino)benzamide?
The IUPAC name of N-amino-N-(4-sulfamoylanilino)benzamide (CID 175270267) is N-amino-N-(4-sulfamoylanilino)benzamide.
What is the SMILES notation for N-amino-N-(4-sulfamoylanilino)benzamide?
The canonical SMILES for N-amino-N-(4-sulfamoylanilino)benzamide is NN(Nc1ccc(S(N)(=O)=O)cc1)C(=O)c1ccccc1.
What is the InChIKey of N-amino-N-(4-sulfamoylanilino)benzamide?
The InChIKey is YOAKWDNOURUKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3S/c14-17(13(18)10-4-2-1-3-5-10)16-11-6-8-12(9-7-11)21(15,19)20/h1-9,16H,14H2,(H2,15,19,20).
What are the key properties of N-amino-N-(4-sulfamoylanilino)benzamide?
N-amino-N-(4-sulfamoylanilino)benzamide has a molecular weight of 306.35 g/mol, XLogP of 0.68, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N-(4-sulfamoylanilino)benzamide is sourced from PubChem (CID 175270267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).