N-[(4-fluorophenyl)methyl]-N,5-dimethylthiophene-2-sulfonamide

C13H14FNO2S2 — CID 47109851

IUPACN-[(4-fluorophenyl)methyl]-N,5-dimethylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)Cc2ccc(F)cc2)s1
InChIInChI=1S/C13H14FNO2S2/c1-10-3-8-13(18-10)19(16,17)15(2)9-11-4-6-12(14)7-5-11/h3-8H,9H2,1-2H3
InChIKeyILWPGQBNNMOEDW-UHFFFAOYSA-N
MW299.39 g/mol
LogP3.02
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-N,5-dimethylthiophene-2-sulfonamide

N-[(4-fluorophenyl)methyl]-N,5-dimethylthiophene-2-sulfonamide (PubChem CID 47109851) has the molecular formula C13H14FNO2S2 and a molecular weight of 299.39 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N,5-dimethylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N,5-dimethylthiophene-2-sulfonamide
PubChem CID47109851
Molecular FormulaC13H14FNO2S2
Molecular Weight299.39 g/mol
Exact Mass299.04
IUPAC NameN-[(4-fluorophenyl)methyl]-N,5-dimethylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)Cc2ccc(F)cc2)s1
InChIInChI=1S/C13H14FNO2S2/c1-10-3-8-13(18-10)19(16,17)15(2)9-11-4-6-12(14)7-5-11/h3-8H,9H2,1-2H3
InChIKeyILWPGQBNNMOEDW-UHFFFAOYSA-N
XLogP3.02
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-hydroxyphenyl)methyl]-N,5-dimethylthiophene-2-sulfonamide
CID 54913854
N-[(2-methoxyphenyl)methyl]-N,5-dimethylthiophene-2-sulfonamide
CID 39793326
N-[(4-bromothiophen-2-yl)methyl]-N,5-dimethylthiophene-2-sulfonamide
CID 47318970
N-[[4-(aminomethyl)phenyl]methyl]-4-fluoro-N-methylbenzenesulfonamide
CID 60923004
N-ethyl-5-methyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide
CID 168899072
N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzenesulfonamide
CID 47103944
N-[(4-fluorophenyl)methyl]-2-methoxy-N,5-dimethylbenzenesulfonamide
CID 8797935
5-chloro-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-sulfonamide
CID 134017189
N-[(4-fluorophenyl)methyl]-N-methyl-4-methylsulfanylbenzenesulfonamide
CID 49237408
N-[(4-fluorophenyl)methyl]-N-methylpropane-2-sulfonamide
CID 61362465
N-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)-N,4-dimethylthiophene-3-sulfonamide
CID 102749783
4-fluoro-N-methyl-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide
CID 26027770

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N,5-dimethylthiophene-2-sulfonamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N,5-dimethylthiophene-2-sulfonamide (CID 47109851) is N-[(4-fluorophenyl)methyl]-N,5-dimethylthiophene-2-sulfonamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N,5-dimethylthiophene-2-sulfonamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N,5-dimethylthiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)N(C)Cc2ccc(F)cc2)s1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N,5-dimethylthiophene-2-sulfonamide?
The InChIKey is ILWPGQBNNMOEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO2S2/c1-10-3-8-13(18-10)19(16,17)15(2)9-11-4-6-12(14)7-5-11/h3-8H,9H2,1-2H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N,5-dimethylthiophene-2-sulfonamide?
N-[(4-fluorophenyl)methyl]-N,5-dimethylthiophene-2-sulfonamide has a molecular weight of 299.39 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N,5-dimethylthiophene-2-sulfonamide is sourced from PubChem (CID 47109851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).