N-cyclopropyl-5-ethyl-N-[(2-fluorophenyl)methyl]thiophene-2-sulfonamide

C16H18FNO2S2 — CID 55904602

IUPACN-cyclopropyl-5-ethyl-N-[(2-fluorophenyl)methyl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)N(Cc2ccccc2F)C2CC2)s1
InChIInChI=1S/C16H18FNO2S2/c1-2-14-9-10-16(21-14)22(19,20)18(13-7-8-13)11-12-5-3-4-6-15(12)17/h3-6,9-10,13H,2,7-8,11H2,1H3
InChIKeyJRFUBARLWKHYTB-UHFFFAOYSA-N
MW339.46 g/mol
LogP3.80
Rot. Bonds6

About N-cyclopropyl-5-ethyl-N-[(2-fluorophenyl)methyl]thiophene-2-sulfonamide

N-cyclopropyl-5-ethyl-N-[(2-fluorophenyl)methyl]thiophene-2-sulfonamide (PubChem CID 55904602) has the molecular formula C16H18FNO2S2 and a molecular weight of 339.46 g/mol. Its IUPAC name is N-cyclopropyl-5-ethyl-N-[(2-fluorophenyl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-5-ethyl-N-[(2-fluorophenyl)methyl]thiophene-2-sulfonamide
PubChem CID55904602
Molecular FormulaC16H18FNO2S2
Molecular Weight339.46 g/mol
Exact Mass339.08
IUPAC NameN-cyclopropyl-5-ethyl-N-[(2-fluorophenyl)methyl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)N(Cc2ccccc2F)C2CC2)s1
InChIInChI=1S/C16H18FNO2S2/c1-2-14-9-10-16(21-14)22(19,20)18(13-7-8-13)11-12-5-3-4-6-15(12)17/h3-6,9-10,13H,2,7-8,11H2,1H3
InChIKeyJRFUBARLWKHYTB-UHFFFAOYSA-N
XLogP3.80
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-aminocyclohexyl)-N,5-diethylthiophene-2-sulfonamide
CID 79115688
N-cyclopropyl-5-ethyl-N-(piperidin-4-ylmethyl)thiophene-2-sulfonamide
CID 79702302
N-(2-chloroethyl)-N-cyclohexyl-5-ethylthiophene-2-sulfonamide
CID 63396348
(2R)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-methylbutane-1-sulfonamide
CID 97095665
N-[(2-aminophenyl)methyl]-5-chloro-N-cyclopropylthiophene-2-sulfonamide
CID 43460927
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1H-pyrazole-5-sulfonamide
CID 102692045
1-N-benzyl-4-N-cyclopentyl-1-N-ethyl-4-N-[(2-fluorophenyl)methyl]benzene-1,4-disulfonamide
CID 3189960
1-(5-ethylthiophen-2-yl)sulfonyl-4-[2-(2-fluorophenyl)ethyl]piperazine
CID 110412116
N-cyclopropyl-2-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]ethanesulfonamide
CID 166242215
N-cyclopropyl-2-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 35389306
(E)-2-(4-chlorophenyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]ethenesulfonamide
CID 27665668
5-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]thiophene-2-sulfonamide
CID 26531289

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-ethyl-N-[(2-fluorophenyl)methyl]thiophene-2-sulfonamide?
The IUPAC name of N-cyclopropyl-5-ethyl-N-[(2-fluorophenyl)methyl]thiophene-2-sulfonamide (CID 55904602) is N-cyclopropyl-5-ethyl-N-[(2-fluorophenyl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-cyclopropyl-5-ethyl-N-[(2-fluorophenyl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-cyclopropyl-5-ethyl-N-[(2-fluorophenyl)methyl]thiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)N(Cc2ccccc2F)C2CC2)s1.
What is the InChIKey of N-cyclopropyl-5-ethyl-N-[(2-fluorophenyl)methyl]thiophene-2-sulfonamide?
The InChIKey is JRFUBARLWKHYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2S2/c1-2-14-9-10-16(21-14)22(19,20)18(13-7-8-13)11-12-5-3-4-6-15(12)17/h3-6,9-10,13H,2,7-8,11H2,1H3.
What are the key properties of N-cyclopropyl-5-ethyl-N-[(2-fluorophenyl)methyl]thiophene-2-sulfonamide?
N-cyclopropyl-5-ethyl-N-[(2-fluorophenyl)methyl]thiophene-2-sulfonamide has a molecular weight of 339.46 g/mol, XLogP of 3.80, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-ethyl-N-[(2-fluorophenyl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 55904602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).