3-[(2-fluorophenyl)sulfonylamino]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]propanamide

C14H19FN2O5S2 — CID 25481946

IUPAC3-[(2-fluorophenyl)sulfonylamino]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]propanamide
SMILESC[C@]1(NC(=O)CCNS(=O)(=O)c2ccccc2F)CCS(=O)(=O)C1
InChIInChI=1S/C14H19FN2O5S2/c1-14(7-9-23(19,20)10-14)17-13(18)6-8-16-24(21,22)12-5-3-2-4-11(12)15/h2-5,16H,6-10H2,1H3,(H,17,18)/t14-/m0/s1
InChIKeyYFXWLNNZVXNWSS-AWEZNQCLSA-N
MW378.45 g/mol
LogP0.19
Rot. Bonds6

About 3-[(2-fluorophenyl)sulfonylamino]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]propanamide

3-[(2-fluorophenyl)sulfonylamino]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]propanamide (PubChem CID 25481946) has the molecular formula C14H19FN2O5S2 and a molecular weight of 378.45 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)sulfonylamino]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]propanamide.

Molecular Properties

Compound Name3-[(2-fluorophenyl)sulfonylamino]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]propanamide
PubChem CID25481946
Molecular FormulaC14H19FN2O5S2
Molecular Weight378.45 g/mol
Exact Mass378.07
IUPAC Name3-[(2-fluorophenyl)sulfonylamino]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]propanamide
SMILESC[C@]1(NC(=O)CCNS(=O)(=O)c2ccccc2F)CCS(=O)(=O)C1
InChIInChI=1S/C14H19FN2O5S2/c1-14(7-9-23(19,20)10-14)17-13(18)6-8-16-24(21,22)12-5-3-2-4-11(12)15/h2-5,16H,6-10H2,1H3,(H,17,18)/t14-/m0/s1
InChIKeyYFXWLNNZVXNWSS-AWEZNQCLSA-N
XLogP0.19
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methyl-1,1-dioxothiolan-3-yl)-4-phenylsulfanylbutanamide
CID 2997922
N-(1,1-dioxothiolan-3-yl)-2-(2-fluorophenyl)sulfanylacetamide
CID 16196693
2-[benzenesulfonyl(ethyl)amino]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 4029352
N-(1,1-dioxothiolan-3-yl)-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide
CID 4830029
N-tert-butyl-3-(4-fluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxamide
CID 51107723
N-tert-butyl-3-(3-fluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxamide
CID 51107724
N-tert-butyl-3-(2-fluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxamide
CID 51107726
3-[(2,5-dimethylphenyl)sulfonylamino]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]propanamide
CID 30582944
N-((1,1-dioxidotetrahydrothiophen-3-yl)methyl)-2-((4-fluorophenyl)thio)acetamide
CID 47156955
N-[2-(benzenesulfonyl)ethyl]-3-[(3,4-difluorophenyl)sulfonylamino]propanamide
CID 53536637
1-[(S)-3-(tert-butylsulfonyl)-1-pyrrolidinyl]-3-(m-fluorophenylsulfonylamino)-1-propanone
CID 97427245
(2S)-2-ethyl-4-(4-fluorophenyl)sulfonyl-1-methyl-1-thionia-4,8-diazaspiro[4.5]decan-3-one
CID 177732048

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)sulfonylamino]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]propanamide?
The IUPAC name of 3-[(2-fluorophenyl)sulfonylamino]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]propanamide (CID 25481946) is 3-[(2-fluorophenyl)sulfonylamino]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]propanamide.
What is the SMILES notation for 3-[(2-fluorophenyl)sulfonylamino]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]propanamide?
The canonical SMILES for 3-[(2-fluorophenyl)sulfonylamino]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]propanamide is C[C@]1(NC(=O)CCNS(=O)(=O)c2ccccc2F)CCS(=O)(=O)C1.
What is the InChIKey of 3-[(2-fluorophenyl)sulfonylamino]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]propanamide?
The InChIKey is YFXWLNNZVXNWSS-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H19FN2O5S2/c1-14(7-9-23(19,20)10-14)17-13(18)6-8-16-24(21,22)12-5-3-2-4-11(12)15/h2-5,16H,6-10H2,1H3,(H,17,18)/t14-/m0/s1.
What are the key properties of 3-[(2-fluorophenyl)sulfonylamino]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]propanamide?
3-[(2-fluorophenyl)sulfonylamino]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]propanamide has a molecular weight of 378.45 g/mol, XLogP of 0.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)sulfonylamino]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]propanamide is sourced from PubChem (CID 25481946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).