2-[[3-(tetrazol-1-yl)phenyl]sulfamoyl]propanoic acid

C10H11N5O4S — CID 61454990

IUPAC2-[[3-(tetrazol-1-yl)phenyl]sulfamoyl]propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)Nc1cccc(-n2cnnn2)c1
InChIInChI=1S/C10H11N5O4S/c1-7(10(16)17)20(18,19)12-8-3-2-4-9(5-8)15-6-11-13-14-15/h2-7,12H,1H3,(H,16,17)
InChIKeyDGZFYPPCKVNPNM-UHFFFAOYSA-N
MW297.30 g/mol
LogP-0.12
Rot. Bonds5

About 2-[[3-(tetrazol-1-yl)phenyl]sulfamoyl]propanoic acid

2-[[3-(tetrazol-1-yl)phenyl]sulfamoyl]propanoic acid (PubChem CID 61454990) has the molecular formula C10H11N5O4S and a molecular weight of 297.30 g/mol. Its IUPAC name is 2-[[3-(tetrazol-1-yl)phenyl]sulfamoyl]propanoic acid.

Molecular Properties

Compound Name2-[[3-(tetrazol-1-yl)phenyl]sulfamoyl]propanoic acid
PubChem CID61454990
Molecular FormulaC10H11N5O4S
Molecular Weight297.30 g/mol
Exact Mass297.05
IUPAC Name2-[[3-(tetrazol-1-yl)phenyl]sulfamoyl]propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)Nc1cccc(-n2cnnn2)c1
InChIInChI=1S/C10H11N5O4S/c1-7(10(16)17)20(18,19)12-8-3-2-4-9(5-8)15-6-11-13-14-15/h2-7,12H,1H3,(H,16,17)
InChIKeyDGZFYPPCKVNPNM-UHFFFAOYSA-N
XLogP-0.12
TPSA127.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[3-(tetrazol-1-yl)phenyl]sulfamoyl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[3-(tetrazol-1-yl)phenyl]sulfamoyl]propanoic acid
CID 43705672
(2R)-2-amino-N-[3-(tetrazol-1-yl)phenyl]propanamide
CID 54991235
(2S)-2-[3-(tetrazol-1-yl)phenoxy]propanoic acid
CID 7026167
2-ethyl-N-[3-(tetrazol-1-yl)phenyl]butanamide
CID 47097708
2-bromo-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 63681198
2-methyl-2-(methylamino)-N-[3-(tetrazol-1-yl)phenyl]propanamide
CID 62836405
2,2-diphenyl-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 7694180
(2S)-N-phenyl-2-[3-(tetrazol-1-yl)phenoxy]propanamide
CID 7705759
2-propan-2-yloxy-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 47418203
(2S)-4-methyl-2-[[3-(tetrazol-1-yl)benzoyl]amino]pentanoic acid
CID 119361740
2,3-dichloro-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide
CID 8519287
3-chloro-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide
CID 7693123

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(tetrazol-1-yl)phenyl]sulfamoyl]propanoic acid?
The IUPAC name of 2-[[3-(tetrazol-1-yl)phenyl]sulfamoyl]propanoic acid (CID 61454990) is 2-[[3-(tetrazol-1-yl)phenyl]sulfamoyl]propanoic acid.
What is the SMILES notation for 2-[[3-(tetrazol-1-yl)phenyl]sulfamoyl]propanoic acid?
The canonical SMILES for 2-[[3-(tetrazol-1-yl)phenyl]sulfamoyl]propanoic acid is CC(C(=O)O)S(=O)(=O)Nc1cccc(-n2cnnn2)c1.
What is the InChIKey of 2-[[3-(tetrazol-1-yl)phenyl]sulfamoyl]propanoic acid?
The InChIKey is DGZFYPPCKVNPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O4S/c1-7(10(16)17)20(18,19)12-8-3-2-4-9(5-8)15-6-11-13-14-15/h2-7,12H,1H3,(H,16,17).
What are the key properties of 2-[[3-(tetrazol-1-yl)phenyl]sulfamoyl]propanoic acid?
2-[[3-(tetrazol-1-yl)phenyl]sulfamoyl]propanoic acid has a molecular weight of 297.30 g/mol, XLogP of -0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(tetrazol-1-yl)phenyl]sulfamoyl]propanoic acid is sourced from PubChem (CID 61454990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).