4-fluoro-3-methyl-N-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide

C17H16FNO4S4 — CID 18574253

IUPAC4-fluoro-3-methyl-N-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCC(c2cccs2)S(=O)(=O)c2cccs2)ccc1F
InChIInChI=1S/C17H16FNO4S4/c1-12-10-13(6-7-14(12)18)27(22,23)19-11-16(15-4-2-8-24-15)26(20,21)17-5-3-9-25-17/h2-10,16,19H,11H2,1H3
InChIKeyBQLCQALRSQWSKU-UHFFFAOYSA-N
MW445.58 g/mol
LogP3.75
Rot. Bonds7

About 4-fluoro-3-methyl-N-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide

4-fluoro-3-methyl-N-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide (PubChem CID 18574253) has the molecular formula C17H16FNO4S4 and a molecular weight of 445.58 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide
PubChem CID18574253
Molecular FormulaC17H16FNO4S4
Molecular Weight445.58 g/mol
Exact Mass444.99
IUPAC Name4-fluoro-3-methyl-N-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCC(c2cccs2)S(=O)(=O)c2cccs2)ccc1F
InChIInChI=1S/C17H16FNO4S4/c1-12-10-13(6-7-14(12)18)27(22,23)19-11-16(15-4-2-8-24-15)26(20,21)17-5-3-9-25-17/h2-10,16,19H,11H2,1H3
InChIKeyBQLCQALRSQWSKU-UHFFFAOYSA-N
XLogP3.75
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.58
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2S)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]-3,4-dimethylbenzenesulfonamide
CID 51449246
2,5-difluoro-N-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide
CID 16829668
N-[(2S)-2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 41193831
N-[2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 18574230
N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-2-methylpropanamide
CID 20962872
4-methyl-N-[(2R)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide
CID 41193494
4-chloro-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide
CID 41193498
4-fluoro-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide
CID 16829644
N-[2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-4-fluorobenzenesulfonamide
CID 16829653
N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-4-fluoro-2-methylbenzenesulfonamide
CID 41193593
N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-2,4,6-trimethylbenzenesulfonamide
CID 41193669
N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-2-methylbenzamide
CID 20962840

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-N-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-3-methyl-N-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide (CID 18574253) is 4-fluoro-3-methyl-N-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-3-methyl-N-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-3-methyl-N-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide is Cc1cc(S(=O)(=O)NCC(c2cccs2)S(=O)(=O)c2cccs2)ccc1F.
What is the InChIKey of 4-fluoro-3-methyl-N-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide?
The InChIKey is BQLCQALRSQWSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO4S4/c1-12-10-13(6-7-14(12)18)27(22,23)19-11-16(15-4-2-8-24-15)26(20,21)17-5-3-9-25-17/h2-10,16,19H,11H2,1H3.
What are the key properties of 4-fluoro-3-methyl-N-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide?
4-fluoro-3-methyl-N-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide has a molecular weight of 445.58 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-N-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide is sourced from PubChem (CID 18574253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).