4-(2-amino-4-fluorophenyl)sulfanylbutanehydrazide

C10H14FN3OS — CID 63581095

IUPAC4-(2-amino-4-fluorophenyl)sulfanylbutanehydrazide
SMILESNNC(=O)CCCSc1ccc(F)cc1N
InChIInChI=1S/C10H14FN3OS/c11-7-3-4-9(8(12)6-7)16-5-1-2-10(15)14-13/h3-4,6H,1-2,5,12-13H2,(H,14,15)
InChIKeyBICSYUNINDARKW-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.27
Rot. Bonds5

About 4-(2-amino-4-fluorophenyl)sulfanylbutanehydrazide

4-(2-amino-4-fluorophenyl)sulfanylbutanehydrazide (PubChem CID 63581095) has the molecular formula C10H14FN3OS and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-(2-amino-4-fluorophenyl)sulfanylbutanehydrazide.

Molecular Properties

Compound Name4-(2-amino-4-fluorophenyl)sulfanylbutanehydrazide
PubChem CID63581095
Molecular FormulaC10H14FN3OS
Molecular Weight243.31 g/mol
Exact Mass243.08
IUPAC Name4-(2-amino-4-fluorophenyl)sulfanylbutanehydrazide
SMILESNNC(=O)CCCSc1ccc(F)cc1N
InChIInChI=1S/C10H14FN3OS/c11-7-3-4-9(8(12)6-7)16-5-1-2-10(15)14-13/h3-4,6H,1-2,5,12-13H2,(H,14,15)
InChIKeyBICSYUNINDARKW-UHFFFAOYSA-N
XLogP1.27
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-(2-amino-5-fluorophenyl)sulfanylhexanehydrazide
CID 79143496
5-(2,5-difluorophenyl)sulfanylpentanehydrazide
CID 55215054
4-(4-fluorophenyl)sulfanylbutanehydrazide
CID 63580028
2-(3-ethylsulfonylpropylsulfanyl)-5-fluoroaniline
CID 65093509
5-(2-amino-5-chlorophenyl)sulfanylpentanehydrazide
CID 79527950
5-fluoro-2-(3-methoxypropylsulfanyl)aniline
CID 60926666
ethyl 4-[[2-(2-amino-4-fluorophenyl)sulfanylacetyl]amino]butanoate
CID 43303930
4-(4-hydroxynaphthalen-1-yl)sulfanylbutanehydrazide
CID 112596217
4-(4-amino-3-chlorophenyl)sulfanylbutanehydrazide
CID 79149650
2-(2-amino-4-fluorophenyl)sulfanyl-N-(4-methylphenyl)acetamide
CID 43304409
3-(2-fluorophenyl)sulfanylpropanehydrazide
CID 43236853
methyl N-[2-(2-amino-4-fluorophenyl)sulfanylacetyl]carbamate
CID 43304109

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-4-fluorophenyl)sulfanylbutanehydrazide?
The IUPAC name of 4-(2-amino-4-fluorophenyl)sulfanylbutanehydrazide (CID 63581095) is 4-(2-amino-4-fluorophenyl)sulfanylbutanehydrazide.
What is the SMILES notation for 4-(2-amino-4-fluorophenyl)sulfanylbutanehydrazide?
The canonical SMILES for 4-(2-amino-4-fluorophenyl)sulfanylbutanehydrazide is NNC(=O)CCCSc1ccc(F)cc1N.
What is the InChIKey of 4-(2-amino-4-fluorophenyl)sulfanylbutanehydrazide?
The InChIKey is BICSYUNINDARKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3OS/c11-7-3-4-9(8(12)6-7)16-5-1-2-10(15)14-13/h3-4,6H,1-2,5,12-13H2,(H,14,15).
What are the key properties of 4-(2-amino-4-fluorophenyl)sulfanylbutanehydrazide?
4-(2-amino-4-fluorophenyl)sulfanylbutanehydrazide has a molecular weight of 243.31 g/mol, XLogP of 1.27, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-4-fluorophenyl)sulfanylbutanehydrazide is sourced from PubChem (CID 63581095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).