2-(3-aminoprop-1-ynyl)-N-(4-fluorophenyl)benzenesulfonamide

C15H13FN2O2S — CID 60845512

IUPAC2-(3-aminoprop-1-ynyl)-N-(4-fluorophenyl)benzenesulfonamide
SMILESNCC#Cc1ccccc1S(=O)(=O)Nc1ccc(F)cc1
InChIInChI=1S/C15H13FN2O2S/c16-13-7-9-14(10-8-13)18-21(19,20)15-6-2-1-4-12(15)5-3-11-17/h1-2,4,6-10,18H,11,17H2
InChIKeyRVKHNKJHHZBYQE-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.94
Rot. Bonds3

About 2-(3-aminoprop-1-ynyl)-N-(4-fluorophenyl)benzenesulfonamide

2-(3-aminoprop-1-ynyl)-N-(4-fluorophenyl)benzenesulfonamide (PubChem CID 60845512) has the molecular formula C15H13FN2O2S and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-(3-aminoprop-1-ynyl)-N-(4-fluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-(3-aminoprop-1-ynyl)-N-(4-fluorophenyl)benzenesulfonamide
PubChem CID60845512
Molecular FormulaC15H13FN2O2S
Molecular Weight304.35 g/mol
Exact Mass304.07
IUPAC Name2-(3-aminoprop-1-ynyl)-N-(4-fluorophenyl)benzenesulfonamide
SMILESNCC#Cc1ccccc1S(=O)(=O)Nc1ccc(F)cc1
InChIInChI=1S/C15H13FN2O2S/c16-13-7-9-14(10-8-13)18-21(19,20)15-6-2-1-4-12(15)5-3-11-17/h1-2,4,6-10,18H,11,17H2
InChIKeyRVKHNKJHHZBYQE-UHFFFAOYSA-N
XLogP1.94
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-fluorophenyl)-2-(3-hydroxyprop-1-ynyl)benzenesulfonamide
CID 60823376
2-(3-aminoprop-1-ynyl)-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
CID 65481870
N-[4-(3-aminoprop-1-ynyl)phenyl]-2-fluorobenzenesulfonamide
CID 60814453
2-(3-aminoprop-1-ynyl)-N-(1H-imidazol-2-yl)benzenesulfonamide
CID 63564336
2-(3-aminoprop-1-ynyl)-4-fluoro-N-pyrimidin-2-ylbenzenesulfonamide
CID 60845361
N-(4-fluorophenyl)-2-hydroxybenzenesulfonamide
CID 80503785
8-cyano-N-(4-fluorophenyl)naphthalene-1-sulfonamide
CID 629814
4-[[2-(3-aminoprop-1-ynyl)phenyl]sulfonylamino]butanamide
CID 60863801
2-tert-butyl-N-(4-fluorophenyl)benzenesulfonamide
CID 143195069
2-(aminomethyl)-5-fluoro-N-(4-fluorophenyl)benzenesulfonamide
CID 106061701
2-(3-aminoprop-1-ynyl)-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide
CID 64525744
5-[[2-(3-aminoprop-1-ynyl)phenyl]sulfonylamino]pentanamide
CID 106240784

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminoprop-1-ynyl)-N-(4-fluorophenyl)benzenesulfonamide?
The IUPAC name of 2-(3-aminoprop-1-ynyl)-N-(4-fluorophenyl)benzenesulfonamide (CID 60845512) is 2-(3-aminoprop-1-ynyl)-N-(4-fluorophenyl)benzenesulfonamide.
What is the SMILES notation for 2-(3-aminoprop-1-ynyl)-N-(4-fluorophenyl)benzenesulfonamide?
The canonical SMILES for 2-(3-aminoprop-1-ynyl)-N-(4-fluorophenyl)benzenesulfonamide is NCC#Cc1ccccc1S(=O)(=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-(3-aminoprop-1-ynyl)-N-(4-fluorophenyl)benzenesulfonamide?
The InChIKey is RVKHNKJHHZBYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O2S/c16-13-7-9-14(10-8-13)18-21(19,20)15-6-2-1-4-12(15)5-3-11-17/h1-2,4,6-10,18H,11,17H2.
What are the key properties of 2-(3-aminoprop-1-ynyl)-N-(4-fluorophenyl)benzenesulfonamide?
2-(3-aminoprop-1-ynyl)-N-(4-fluorophenyl)benzenesulfonamide has a molecular weight of 304.35 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminoprop-1-ynyl)-N-(4-fluorophenyl)benzenesulfonamide is sourced from PubChem (CID 60845512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).