N-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)-N,4-dimethylthiophene-3-sulfonamide

C14H16FNO3S2 — CID 102749783

IUPACN-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)-N,4-dimethylthiophene-3-sulfonamide
SMILESCc1csc(CO)c1S(=O)(=O)N(C)Cc1ccc(F)cc1
InChIInChI=1S/C14H16FNO3S2/c1-10-9-20-13(8-17)14(10)21(18,19)16(2)7-11-3-5-12(15)6-4-11/h3-6,9,17H,7-8H2,1-2H3
InChIKeyLYEJOVMEVZNZSF-UHFFFAOYSA-N
MW329.42 g/mol
LogP2.51
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)-N,4-dimethylthiophene-3-sulfonamide

N-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)-N,4-dimethylthiophene-3-sulfonamide (PubChem CID 102749783) has the molecular formula C14H16FNO3S2 and a molecular weight of 329.42 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)-N,4-dimethylthiophene-3-sulfonamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)-N,4-dimethylthiophene-3-sulfonamide
PubChem CID102749783
Molecular FormulaC14H16FNO3S2
Molecular Weight329.42 g/mol
Exact Mass329.06
IUPAC NameN-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)-N,4-dimethylthiophene-3-sulfonamide
SMILESCc1csc(CO)c1S(=O)(=O)N(C)Cc1ccc(F)cc1
InChIInChI=1S/C14H16FNO3S2/c1-10-9-20-13(8-17)14(10)21(18,19)16(2)7-11-3-5-12(15)6-4-11/h3-6,9,17H,7-8H2,1-2H3
InChIKeyLYEJOVMEVZNZSF-UHFFFAOYSA-N
XLogP2.51
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(hydroxymethyl)-N,4-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-3-sulfonamide
CID 102749915
2-(chloromethyl)-N,4-dimethyl-N-(thiophen-3-ylmethyl)thiophene-3-sulfonamide
CID 102750411
N-(cyclohexylmethyl)-2-(hydroxymethyl)-N,4-dimethylthiophene-3-sulfonamide
CID 102749832
2-(aminomethyl)-N-(furan-3-ylmethyl)-N,4-dimethylthiophene-3-sulfonamide
CID 102752351
N-[(4-fluorophenyl)methyl]-N,5-dimethylthiophene-2-sulfonamide
CID 47109851
N-[[4-(aminomethyl)phenyl]methyl]-4-fluoro-N-methylbenzenesulfonamide
CID 60923004
N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzenesulfonamide
CID 47103944
2-(hydroxymethyl)-N-(1-methoxypropan-2-yl)-N,4-dimethylthiophene-3-sulfonamide
CID 102749841
3-[(4-fluorophenyl)methyl-methylsulfamoyl]thiophene-2-carboxylic acid
CID 43402885
N-[(4-fluorophenyl)methyl]-N-methyl-4-methylsulfanylbenzenesulfonamide
CID 49237408
4-fluoro-N-methyl-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide
CID 26027770
N-[(4-fluorophenyl)methyl]-N-methyl-4-(methylamino)benzenesulfonamide
CID 61413510

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)-N,4-dimethylthiophene-3-sulfonamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)-N,4-dimethylthiophene-3-sulfonamide (CID 102749783) is N-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)-N,4-dimethylthiophene-3-sulfonamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)-N,4-dimethylthiophene-3-sulfonamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)-N,4-dimethylthiophene-3-sulfonamide is Cc1csc(CO)c1S(=O)(=O)N(C)Cc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)-N,4-dimethylthiophene-3-sulfonamide?
The InChIKey is LYEJOVMEVZNZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO3S2/c1-10-9-20-13(8-17)14(10)21(18,19)16(2)7-11-3-5-12(15)6-4-11/h3-6,9,17H,7-8H2,1-2H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)-N,4-dimethylthiophene-3-sulfonamide?
N-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)-N,4-dimethylthiophene-3-sulfonamide has a molecular weight of 329.42 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)-N,4-dimethylthiophene-3-sulfonamide is sourced from PubChem (CID 102749783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).