N-(2-fluoro-4-methylphenyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide

C14H17FN2O2S2 — CID 106031041

IUPACN-(2-fluoro-4-methylphenyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide
SMILESCNCc1sc(S(=O)(=O)Nc2ccc(C)cc2F)cc1C
InChIInChI=1S/C14H17FN2O2S2/c1-9-4-5-12(11(15)6-9)17-21(18,19)14-7-10(2)13(20-14)8-16-3/h4-7,16-17H,8H2,1-3H3
InChIKeyMDLJVXVSCNPUPP-UHFFFAOYSA-N
MW328.43 g/mol
LogP3.02
Rot. Bonds5

About N-(2-fluoro-4-methylphenyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide

N-(2-fluoro-4-methylphenyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide (PubChem CID 106031041) has the molecular formula C14H17FN2O2S2 and a molecular weight of 328.43 g/mol. Its IUPAC name is N-(2-fluoro-4-methylphenyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-fluoro-4-methylphenyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide
PubChem CID106031041
Molecular FormulaC14H17FN2O2S2
Molecular Weight328.43 g/mol
Exact Mass328.07
IUPAC NameN-(2-fluoro-4-methylphenyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide
SMILESCNCc1sc(S(=O)(=O)Nc2ccc(C)cc2F)cc1C
InChIInChI=1S/C14H17FN2O2S2/c1-9-4-5-12(11(15)6-9)17-21(18,19)14-7-10(2)13(20-14)8-16-3/h4-7,16-17H,8H2,1-3H3
InChIKeyMDLJVXVSCNPUPP-UHFFFAOYSA-N
XLogP3.02
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-methylphenyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106031146
N-(2-methoxyphenyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106044813
N-(2,5-dibromophenyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106007099
N-(3-chloro-2-methylphenyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106057338
N-(2-fluoro-4-methylphenyl)-5-(methylaminomethyl)furan-2-sulfonamide
CID 106031076
5-bromo-N-(2-fluoro-4-methylphenyl)thiophene-2-sulfonamide
CID 8523278
4-methyl-5-(methylaminomethyl)-N-thiophen-3-ylthiophene-2-sulfonamide
CID 114141603
N-(3-chloro-5-fluorophenyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106087894
N-(2,4-dimethylphenyl)-5-fluorothiophene-2-sulfonamide
CID 91969488
5-chloro-N-(4-cyano-2-fluorophenyl)-4-methylthiophene-2-sulfonamide
CID 103099977
5-[(2,4-difluorophenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 43311182
2-amino-N-(2-fluoro-4-methylphenyl)-3,6-dimethylbenzenesulfonamide
CID 103171069

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-methylphenyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide?
The IUPAC name of N-(2-fluoro-4-methylphenyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide (CID 106031041) is N-(2-fluoro-4-methylphenyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(2-fluoro-4-methylphenyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(2-fluoro-4-methylphenyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide is CNCc1sc(S(=O)(=O)Nc2ccc(C)cc2F)cc1C.
What is the InChIKey of N-(2-fluoro-4-methylphenyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide?
The InChIKey is MDLJVXVSCNPUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2S2/c1-9-4-5-12(11(15)6-9)17-21(18,19)14-7-10(2)13(20-14)8-16-3/h4-7,16-17H,8H2,1-3H3.
What are the key properties of N-(2-fluoro-4-methylphenyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide?
N-(2-fluoro-4-methylphenyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide has a molecular weight of 328.43 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-methylphenyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106031041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).