2,4,5-trimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide

C14H17NO2S2 — CID 6461005

IUPAC2,4,5-trimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCc2cccs2)cc1C
InChIInChI=1S/C14H17NO2S2/c1-10-7-12(3)14(8-11(10)2)19(16,17)15-9-13-5-4-6-18-13/h4-8,15H,9H2,1-3H3
InChIKeyJUCKZEYXIMXWHA-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.15
Rot. Bonds4

About 2,4,5-trimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide

2,4,5-trimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide (PubChem CID 6461005) has the molecular formula C14H17NO2S2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 2,4,5-trimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4,5-trimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
PubChem CID6461005
Molecular FormulaC14H17NO2S2
Molecular Weight295.43 g/mol
Exact Mass295.07
IUPAC Name2,4,5-trimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCc2cccs2)cc1C
InChIInChI=1S/C14H17NO2S2/c1-10-7-12(3)14(8-11(10)2)19(16,17)15-9-13-5-4-6-18-13/h4-8,15H,9H2,1-3H3
InChIKeyJUCKZEYXIMXWHA-UHFFFAOYSA-N
XLogP3.15
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-N-(4-methylbenzyl)thiophene-2-sulfonamide
CID 2148031
N,2,5-trimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 2447570
N-[1-(4-methylphenyl)propyl]thiophene-2-sulfonamide
CID 4768760
N-[2-(4-thiophen-3-ylphenyl)propyl]propane-2-sulfonamide
CID 9873570
[5-[3-(4-Methylphenyl)-4-methylsulfonylphenyl]sulfonylthiophen-2-yl]methanamine;hydrochloride
CID 130345158
[5-[3-(4-Methylphenyl)-4-methylsulfonylphenyl]sulfonylthiophen-2-yl]methanamine
CID 130345159
N-[4-(aminosulfonyl)benzyl]-2,5-dimethylthiophene-3-sulfonamide
CID 3238507
2,4,6-trimethyl-N-(2-(phenylsulfonyl)-2-(thiophen-2-yl)ethyl)benzenesulfonamide
CID 16032961
4-ethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 5190927
N-2-(4-(3-thienyl)phenyl)propyl methanesulfonamide
CID 10685310
[5-(3-Ethyl-5-phenylphenyl)sulfonylthiophen-2-yl]methanamine;hydrochloride
CID 130344949
US10807974, Example 120
CID 130344950

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 2,4,5-trimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide (CID 6461005) is 2,4,5-trimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2,4,5-trimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2,4,5-trimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)NCc2cccs2)cc1C.
What is the InChIKey of 2,4,5-trimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The InChIKey is JUCKZEYXIMXWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S2/c1-10-7-12(3)14(8-11(10)2)19(16,17)15-9-13-5-4-6-18-13/h4-8,15H,9H2,1-3H3.
What are the key properties of 2,4,5-trimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
2,4,5-trimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide has a molecular weight of 295.43 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 6461005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).