4-[[2-(tetrazol-1-yl)phenyl]sulfamoyl]butanoic acid

C11H13N5O4S — CID 43710270

IUPAC4-[[2-(tetrazol-1-yl)phenyl]sulfamoyl]butanoic acid
SMILESO=C(O)CCCS(=O)(=O)Nc1ccccc1-n1cnnn1
InChIInChI=1S/C11H13N5O4S/c17-11(18)6-3-7-21(19,20)13-9-4-1-2-5-10(9)16-8-12-14-15-16/h1-2,4-5,8,13H,3,6-7H2,(H,17,18)
InChIKeyLMKNUHBSJJCICD-UHFFFAOYSA-N
MW311.32 g/mol
LogP0.27
Rot. Bonds7

About 4-[[2-(tetrazol-1-yl)phenyl]sulfamoyl]butanoic acid

4-[[2-(tetrazol-1-yl)phenyl]sulfamoyl]butanoic acid (PubChem CID 43710270) has the molecular formula C11H13N5O4S and a molecular weight of 311.32 g/mol. Its IUPAC name is 4-[[2-(tetrazol-1-yl)phenyl]sulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[[2-(tetrazol-1-yl)phenyl]sulfamoyl]butanoic acid
PubChem CID43710270
Molecular FormulaC11H13N5O4S
Molecular Weight311.32 g/mol
Exact Mass311.07
IUPAC Name4-[[2-(tetrazol-1-yl)phenyl]sulfamoyl]butanoic acid
SMILESO=C(O)CCCS(=O)(=O)Nc1ccccc1-n1cnnn1
InChIInChI=1S/C11H13N5O4S/c17-11(18)6-3-7-21(19,20)13-9-4-1-2-5-10(9)16-8-12-14-15-16/h1-2,4-5,8,13H,3,6-7H2,(H,17,18)
InChIKeyLMKNUHBSJJCICD-UHFFFAOYSA-N
XLogP0.27
TPSA127.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[[2-(1,2,4-triazol-1-yl)phenyl]sulfamoyl]butanoic acid
CID 43711492
N-[2-(tetrazol-1-yl)phenyl]ethanesulfonamide
CID 61061859
4-[(2-methylphenyl)sulfamoyl]butanoic acid
CID 28513713
3-[[3-(tetrazol-1-yl)phenyl]sulfamoyl]propanoic acid
CID 43705672
(2S)-2-amino-N-[2-(tetrazol-1-yl)phenyl]hexanamide
CID 107144063
3-(ethylamino)-N-[2-(tetrazol-1-yl)phenyl]propanamide
CID 55121620
2-amino-4-methyl-N-[2-(tetrazol-1-yl)phenyl]pentanamide
CID 43706192
4-[[2-(dimethylamino)-3-pyridinyl]sulfamoyl]butanoic acid
CID 43710941
3-[[2-(tetrazol-1-yl)phenyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 52700082
5-amino-4-methyl-N-[2-(tetrazol-1-yl)phenyl]pentanamide
CID 82011021
2-chloro-N-[2-(tetrazol-1-yl)phenyl]propanamide
CID 43698693
(2R)-2-amino-N-[2-(tetrazol-1-yl)phenyl]propanamide
CID 54995832

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(tetrazol-1-yl)phenyl]sulfamoyl]butanoic acid?
The IUPAC name of 4-[[2-(tetrazol-1-yl)phenyl]sulfamoyl]butanoic acid (CID 43710270) is 4-[[2-(tetrazol-1-yl)phenyl]sulfamoyl]butanoic acid.
What is the SMILES notation for 4-[[2-(tetrazol-1-yl)phenyl]sulfamoyl]butanoic acid?
The canonical SMILES for 4-[[2-(tetrazol-1-yl)phenyl]sulfamoyl]butanoic acid is O=C(O)CCCS(=O)(=O)Nc1ccccc1-n1cnnn1.
What is the InChIKey of 4-[[2-(tetrazol-1-yl)phenyl]sulfamoyl]butanoic acid?
The InChIKey is LMKNUHBSJJCICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O4S/c17-11(18)6-3-7-21(19,20)13-9-4-1-2-5-10(9)16-8-12-14-15-16/h1-2,4-5,8,13H,3,6-7H2,(H,17,18).
What are the key properties of 4-[[2-(tetrazol-1-yl)phenyl]sulfamoyl]butanoic acid?
4-[[2-(tetrazol-1-yl)phenyl]sulfamoyl]butanoic acid has a molecular weight of 311.32 g/mol, XLogP of 0.27, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(tetrazol-1-yl)phenyl]sulfamoyl]butanoic acid is sourced from PubChem (CID 43710270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).