4-(3-aminoprop-1-ynyl)-3-fluoro-N-(2-methyltetrazol-5-yl)benzenesulfonamide

C11H11FN6O2S — CID 107652797

IUPAC4-(3-aminoprop-1-ynyl)-3-fluoro-N-(2-methyltetrazol-5-yl)benzenesulfonamide
SMILESCn1nnc(NS(=O)(=O)c2ccc(C#CCN)c(F)c2)n1
InChIInChI=1S/C11H11FN6O2S/c1-18-15-11(14-17-18)16-21(19,20)9-5-4-8(3-2-6-13)10(12)7-9/h4-5,7H,6,13H2,1H3,(H,15,16)
InChIKeyYJDBJJOCMXFNAJ-UHFFFAOYSA-N
MW310.31 g/mol
LogP-0.54
Rot. Bonds3

About 4-(3-aminoprop-1-ynyl)-3-fluoro-N-(2-methyltetrazol-5-yl)benzenesulfonamide

4-(3-aminoprop-1-ynyl)-3-fluoro-N-(2-methyltetrazol-5-yl)benzenesulfonamide (PubChem CID 107652797) has the molecular formula C11H11FN6O2S and a molecular weight of 310.31 g/mol. Its IUPAC name is 4-(3-aminoprop-1-ynyl)-3-fluoro-N-(2-methyltetrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(3-aminoprop-1-ynyl)-3-fluoro-N-(2-methyltetrazol-5-yl)benzenesulfonamide
PubChem CID107652797
Molecular FormulaC11H11FN6O2S
Molecular Weight310.31 g/mol
Exact Mass310.06
IUPAC Name4-(3-aminoprop-1-ynyl)-3-fluoro-N-(2-methyltetrazol-5-yl)benzenesulfonamide
SMILESCn1nnc(NS(=O)(=O)c2ccc(C#CCN)c(F)c2)n1
InChIInChI=1S/C11H11FN6O2S/c1-18-15-11(14-17-18)16-21(19,20)9-5-4-8(3-2-6-13)10(12)7-9/h4-5,7H,6,13H2,1H3,(H,15,16)
InChIKeyYJDBJJOCMXFNAJ-UHFFFAOYSA-N
XLogP-0.54
TPSA115.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-(3-aminoprop-1-ynyl)-3-fluoro-N-(2-methyltetrazol-5-yl)benzenesulfonamide 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

4-(3-aminoprop-1-ynyl)-3-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 107652609
4-(3-aminoprop-1-ynyl)-3-fluoro-N-(thiadiazol-5-yl)benzenesulfonamide
CID 107652863
4-(3-aminoprop-1-ynyl)-N-butyl-3-fluorobenzenesulfonamide
CID 107652419
4-(3-aminoprop-1-ynyl)-N,N-diethyl-3-fluorobenzenesulfonamide
CID 107652309
3-hydrazinyl-N-(2-methyltetrazol-5-yl)-4-nitrobenzenesulfonamide
CID 82847860
3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(1-methylpyrazol-3-yl)benzenesulfonamide
CID 107650676
3-(2-fluoro-4-piperidin-1-ylsulfonylphenyl)prop-2-yn-1-amine
CID 107652358
4-(3-aminoprop-1-ynyl)-N-ethyl-3-fluoro-N-propan-2-ylbenzenesulfonamide
CID 107652699
4-(3-aminoprop-1-ynyl)-3-fluoro-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 106197583
4-(3-aminoprop-1-ynyl)-N-(1-ethylsulfanylpropan-2-yl)-3-fluorobenzenesulfonamide
CID 107652840
4-(methanesulfonamido)-N-(2-methyltetrazol-5-yl)benzenesulfonamide
CID 167789221
N-(2-methyltetrazol-5-yl)-4-propan-2-ylbenzenesulfonamide
CID 126829167

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminoprop-1-ynyl)-3-fluoro-N-(2-methyltetrazol-5-yl)benzenesulfonamide?
The IUPAC name of 4-(3-aminoprop-1-ynyl)-3-fluoro-N-(2-methyltetrazol-5-yl)benzenesulfonamide (CID 107652797) is 4-(3-aminoprop-1-ynyl)-3-fluoro-N-(2-methyltetrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-(3-aminoprop-1-ynyl)-3-fluoro-N-(2-methyltetrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-(3-aminoprop-1-ynyl)-3-fluoro-N-(2-methyltetrazol-5-yl)benzenesulfonamide is Cn1nnc(NS(=O)(=O)c2ccc(C#CCN)c(F)c2)n1.
What is the InChIKey of 4-(3-aminoprop-1-ynyl)-3-fluoro-N-(2-methyltetrazol-5-yl)benzenesulfonamide?
The InChIKey is YJDBJJOCMXFNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN6O2S/c1-18-15-11(14-17-18)16-21(19,20)9-5-4-8(3-2-6-13)10(12)7-9/h4-5,7H,6,13H2,1H3,(H,15,16).
What are the key properties of 4-(3-aminoprop-1-ynyl)-3-fluoro-N-(2-methyltetrazol-5-yl)benzenesulfonamide?
4-(3-aminoprop-1-ynyl)-3-fluoro-N-(2-methyltetrazol-5-yl)benzenesulfonamide has a molecular weight of 310.31 g/mol, XLogP of -0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminoprop-1-ynyl)-3-fluoro-N-(2-methyltetrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 107652797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).