1-(3-fluorothiophen-2-yl)-N-propan-2-ylmethanesulfonamide

C8H12FNO2S2 — CID 172528702

IUPAC1-(3-fluorothiophen-2-yl)-N-propan-2-ylmethanesulfonamide
SMILESCC(C)NS(=O)(=O)Cc1sccc1F
InChIInChI=1S/C8H12FNO2S2/c1-6(2)10-14(11,12)5-8-7(9)3-4-13-8/h3-4,6,10H,5H2,1-2H3
InChIKeyANTOZCNKXSGZFD-UHFFFAOYSA-N
MW237.32 g/mol
LogP1.72
Rot. Bonds4

About 1-(3-fluorothiophen-2-yl)-N-propan-2-ylmethanesulfonamide

1-(3-fluorothiophen-2-yl)-N-propan-2-ylmethanesulfonamide (PubChem CID 172528702) has the molecular formula C8H12FNO2S2 and a molecular weight of 237.32 g/mol. Its IUPAC name is 1-(3-fluorothiophen-2-yl)-N-propan-2-ylmethanesulfonamide.

Molecular Properties

Compound Name1-(3-fluorothiophen-2-yl)-N-propan-2-ylmethanesulfonamide
PubChem CID172528702
Molecular FormulaC8H12FNO2S2
Molecular Weight237.32 g/mol
Exact Mass237.03
IUPAC Name1-(3-fluorothiophen-2-yl)-N-propan-2-ylmethanesulfonamide
SMILESCC(C)NS(=O)(=O)Cc1sccc1F
InChIInChI=1S/C8H12FNO2S2/c1-6(2)10-14(11,12)5-8-7(9)3-4-13-8/h3-4,6,10H,5H2,1-2H3
InChIKeyANTOZCNKXSGZFD-UHFFFAOYSA-N
XLogP1.72
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-5-methyl-2-thiophenesulfonamide
CID 2241003
5-(2-Ethanesulfonamidoethyl)thiophene-2-sulfonyl chloride
CID 24689074
1,1,1-trifluoro-N-(1-thiophen-2-ylpropan-2-yl)methanesulfonamide
CID 12519431
1,1,1-trifluoro-N-[(2S)-1-thiophen-2-ylpropan-2-yl]methanesulfonamide
CID 134861646
N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 5105833
3-fluoro-N-[2-(2-thienyl)ethyl]benzenesulfonamide
CID 3793248
N-[2-(4-Fluorobenzenesulfonyl)-2-(thiophen-2-YL)ethyl]methanesulfonamide
CID 16799726
N-[2-(4-Fluorobenzenesulfonyl)-2-(thiophen-2-YL)ethyl]ethane-1-sulfonamide
CID 18574234
N-(1,1-dioxothiolan-3-yl)-2,5-dimethylthiophene-3-sulfonamide
CID 45795092
n-[2-(Thieno-2-yl)ethyl]trifluoromethanesulfonamide
CID 68411620
N-tert-butyl-3-fluoro-5-methylthiophene-2-sulfonamide
CID 146617602
N-cyclopropyl-2,5-dimethylthiophene-3-sulfonamide
CID 718923

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorothiophen-2-yl)-N-propan-2-ylmethanesulfonamide?
The IUPAC name of 1-(3-fluorothiophen-2-yl)-N-propan-2-ylmethanesulfonamide (CID 172528702) is 1-(3-fluorothiophen-2-yl)-N-propan-2-ylmethanesulfonamide.
What is the SMILES notation for 1-(3-fluorothiophen-2-yl)-N-propan-2-ylmethanesulfonamide?
The canonical SMILES for 1-(3-fluorothiophen-2-yl)-N-propan-2-ylmethanesulfonamide is CC(C)NS(=O)(=O)Cc1sccc1F.
What is the InChIKey of 1-(3-fluorothiophen-2-yl)-N-propan-2-ylmethanesulfonamide?
The InChIKey is ANTOZCNKXSGZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FNO2S2/c1-6(2)10-14(11,12)5-8-7(9)3-4-13-8/h3-4,6,10H,5H2,1-2H3.
What are the key properties of 1-(3-fluorothiophen-2-yl)-N-propan-2-ylmethanesulfonamide?
1-(3-fluorothiophen-2-yl)-N-propan-2-ylmethanesulfonamide has a molecular weight of 237.32 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorothiophen-2-yl)-N-propan-2-ylmethanesulfonamide is sourced from PubChem (CID 172528702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).