N,2,5-trimethyl-N-(pyridin-4-ylmethyl)thiophene-3-sulfonamide

C13H16N2O2S2 — CID 47020938

IUPACN,2,5-trimethyl-N-(pyridin-4-ylmethyl)thiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)N(C)Cc2ccncc2)c(C)s1
InChIInChI=1S/C13H16N2O2S2/c1-10-8-13(11(2)18-10)19(16,17)15(3)9-12-4-6-14-7-5-12/h4-8H,9H2,1-3H3
InChIKeyZJBLYULEUUPHJD-UHFFFAOYSA-N
MW296.42 g/mol
LogP2.58
Rot. Bonds4

About N,2,5-trimethyl-N-(pyridin-4-ylmethyl)thiophene-3-sulfonamide

N,2,5-trimethyl-N-(pyridin-4-ylmethyl)thiophene-3-sulfonamide (PubChem CID 47020938) has the molecular formula C13H16N2O2S2 and a molecular weight of 296.42 g/mol. Its IUPAC name is N,2,5-trimethyl-N-(pyridin-4-ylmethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN,2,5-trimethyl-N-(pyridin-4-ylmethyl)thiophene-3-sulfonamide
PubChem CID47020938
Molecular FormulaC13H16N2O2S2
Molecular Weight296.42 g/mol
Exact Mass296.07
IUPAC NameN,2,5-trimethyl-N-(pyridin-4-ylmethyl)thiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)N(C)Cc2ccncc2)c(C)s1
InChIInChI=1S/C13H16N2O2S2/c1-10-8-13(11(2)18-10)19(16,17)15(3)9-12-4-6-14-7-5-12/h4-8H,9H2,1-3H3
InChIKeyZJBLYULEUUPHJD-UHFFFAOYSA-N
XLogP2.58
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-imidazol-2-ylmethyl)-N,2,5-trimethylthiophene-3-sulfonamide
CID 64517854
2-fluoro-N-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 43420461
4-fluoro-N,2,6-trimethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 107326739
N-methyl-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide
CID 47020933
2-chloro-N-methyl-N-(pyridin-4-ylmethyl)pyridine-3-sulfonamide
CID 43564507
4-(aminomethyl)-2-fluoro-N-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 79179205
N-(dimethylsulfamoyl)-N-methyl-1-pyridin-4-ylmethanamine
CID 110724815
N-benzyl-5-(4,5-dimethyl-1,3-thiazol-2-yl)-N,2-dimethylthiophene-3-sulfonamide
CID 50835853
2-cyano-N-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 43420467
1-(2,5-dimethylthiophen-3-yl)-2-[methyl(pyridin-4-ylmethyl)amino]ethanone
CID 62050646
4-chloro-N-methyl-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide
CID 134018087
N-(3-hydroxybutyl)-N,2,5-trimethylthiophene-3-sulfonamide
CID 115756286

Frequently Asked Questions

What is the IUPAC name of N,2,5-trimethyl-N-(pyridin-4-ylmethyl)thiophene-3-sulfonamide?
The IUPAC name of N,2,5-trimethyl-N-(pyridin-4-ylmethyl)thiophene-3-sulfonamide (CID 47020938) is N,2,5-trimethyl-N-(pyridin-4-ylmethyl)thiophene-3-sulfonamide.
What is the SMILES notation for N,2,5-trimethyl-N-(pyridin-4-ylmethyl)thiophene-3-sulfonamide?
The canonical SMILES for N,2,5-trimethyl-N-(pyridin-4-ylmethyl)thiophene-3-sulfonamide is Cc1cc(S(=O)(=O)N(C)Cc2ccncc2)c(C)s1.
What is the InChIKey of N,2,5-trimethyl-N-(pyridin-4-ylmethyl)thiophene-3-sulfonamide?
The InChIKey is ZJBLYULEUUPHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S2/c1-10-8-13(11(2)18-10)19(16,17)15(3)9-12-4-6-14-7-5-12/h4-8H,9H2,1-3H3.
What are the key properties of N,2,5-trimethyl-N-(pyridin-4-ylmethyl)thiophene-3-sulfonamide?
N,2,5-trimethyl-N-(pyridin-4-ylmethyl)thiophene-3-sulfonamide has a molecular weight of 296.42 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,5-trimethyl-N-(pyridin-4-ylmethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 47020938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).