2-[(4-fluorophenyl)sulfonylamino]pentanethioamide

C11H15FN2O2S2 — CID 61122063

IUPAC2-[(4-fluorophenyl)sulfonylamino]pentanethioamide
SMILESCCCC(NS(=O)(=O)c1ccc(F)cc1)C(N)=S
InChIInChI=1S/C11H15FN2O2S2/c1-2-3-10(11(13)17)14-18(15,16)9-6-4-8(12)5-7-9/h4-7,10,14H,2-3H2,1H3,(H2,13,17)
InChIKeyNTEQCVHRFUOPCI-UHFFFAOYSA-N
MW290.38 g/mol
LogP1.56
Rot. Bonds6

About 2-[(4-fluorophenyl)sulfonylamino]pentanethioamide

2-[(4-fluorophenyl)sulfonylamino]pentanethioamide (PubChem CID 61122063) has the molecular formula C11H15FN2O2S2 and a molecular weight of 290.38 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)sulfonylamino]pentanethioamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)sulfonylamino]pentanethioamide
PubChem CID61122063
Molecular FormulaC11H15FN2O2S2
Molecular Weight290.38 g/mol
Exact Mass290.06
IUPAC Name2-[(4-fluorophenyl)sulfonylamino]pentanethioamide
SMILESCCCC(NS(=O)(=O)c1ccc(F)cc1)C(N)=S
InChIInChI=1S/C11H15FN2O2S2/c1-2-3-10(11(13)17)14-18(15,16)9-6-4-8(12)5-7-9/h4-7,10,14H,2-3H2,1H3,(H2,13,17)
InChIKeyNTEQCVHRFUOPCI-UHFFFAOYSA-N
XLogP1.56
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-fluorophenyl)sulfonylamino]pentanoic acid
CID 3745894
2-[(4-fluorophenyl)sulfonylamino]pentanoate
CID 4282675
2-[(4-bromo-2-fluorophenyl)sulfonylamino]pentanethioamide
CID 116527541
2-[[2-(trifluoromethyl)phenyl]sulfonylamino]pentanethioamide
CID 61124839
(2R)-5-amino-2-[(4-fluorophenyl)sulfonylamino]-5-oxopentanoate
CID 9403798
2-[(4-fluoro-2-methylphenyl)sulfonylamino]butanethioamide
CID 61125035
(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-[(2R)-pentan-2-yl]propanamide
CID 40612538
2-[(4-fluorophenyl)sulfonylamino]-N,N-dipropylbutanamide
CID 110497943
4-fluoro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 104981948
2-[2-[(4-fluorophenyl)sulfonylamino]butanoylamino]hexanoic acid
CID 110496366
(2S)-2-[(4-chlorophenyl)sulfonylamino]pentanoic acid
CID 788533
(2S)-2-[(3,5-difluorophenyl)sulfonylamino]pentanoic acid
CID 93252503

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)sulfonylamino]pentanethioamide?
The IUPAC name of 2-[(4-fluorophenyl)sulfonylamino]pentanethioamide (CID 61122063) is 2-[(4-fluorophenyl)sulfonylamino]pentanethioamide.
What is the SMILES notation for 2-[(4-fluorophenyl)sulfonylamino]pentanethioamide?
The canonical SMILES for 2-[(4-fluorophenyl)sulfonylamino]pentanethioamide is CCCC(NS(=O)(=O)c1ccc(F)cc1)C(N)=S.
What is the InChIKey of 2-[(4-fluorophenyl)sulfonylamino]pentanethioamide?
The InChIKey is NTEQCVHRFUOPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2S2/c1-2-3-10(11(13)17)14-18(15,16)9-6-4-8(12)5-7-9/h4-7,10,14H,2-3H2,1H3,(H2,13,17).
What are the key properties of 2-[(4-fluorophenyl)sulfonylamino]pentanethioamide?
2-[(4-fluorophenyl)sulfonylamino]pentanethioamide has a molecular weight of 290.38 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)sulfonylamino]pentanethioamide is sourced from PubChem (CID 61122063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).