N-methyl-4-(methylamino)-N-(thiophen-3-ylmethyl)benzenesulfonamide

C13H16N2O2S2 — CID 43528516

IUPACN-methyl-4-(methylamino)-N-(thiophen-3-ylmethyl)benzenesulfonamide
SMILESCNc1ccc(S(=O)(=O)N(C)Cc2ccsc2)cc1
InChIInChI=1S/C13H16N2O2S2/c1-14-12-3-5-13(6-4-12)19(16,17)15(2)9-11-7-8-18-10-11/h3-8,10,14H,9H2,1-2H3
InChIKeyZKOCKXPBQCGQLJ-UHFFFAOYSA-N
MW296.42 g/mol
LogP2.61
Rot. Bonds5

About N-methyl-4-(methylamino)-N-(thiophen-3-ylmethyl)benzenesulfonamide

N-methyl-4-(methylamino)-N-(thiophen-3-ylmethyl)benzenesulfonamide (PubChem CID 43528516) has the molecular formula C13H16N2O2S2 and a molecular weight of 296.42 g/mol. Its IUPAC name is N-methyl-4-(methylamino)-N-(thiophen-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-4-(methylamino)-N-(thiophen-3-ylmethyl)benzenesulfonamide
PubChem CID43528516
Molecular FormulaC13H16N2O2S2
Molecular Weight296.42 g/mol
Exact Mass296.07
IUPAC NameN-methyl-4-(methylamino)-N-(thiophen-3-ylmethyl)benzenesulfonamide
SMILESCNc1ccc(S(=O)(=O)N(C)Cc2ccsc2)cc1
InChIInChI=1S/C13H16N2O2S2/c1-14-12-3-5-13(6-4-12)19(16,17)15(2)9-11-7-8-18-10-11/h3-8,10,14H,9H2,1-2H3
InChIKeyZKOCKXPBQCGQLJ-UHFFFAOYSA-N
XLogP2.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydrazinyl-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 43528511
4-hydroxy-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 43528520
N-[(4-fluorophenyl)methyl]-N-methyl-4-(methylamino)benzenesulfonamide
CID 61413510
2-chloro-N-methyl-N-(thiophen-3-ylmethyl)pyrimidine-5-sulfonamide
CID 43528240
4-amino-3-chloro-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 115329710
N-methyl-N-(thiophen-3-ylmethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421876
N-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 55024925
2-hydroxy-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 81241113
3-amino-4-fluoro-N,5-dimethyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 115421234
3-(1-hydroxyethyl)-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 43528546
3-chloro-N,4-dimethyl-5-nitro-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 9190935
(3S)-N,3-dimethyl-2-oxo-N-(thiophen-3-ylmethyl)-1,3-dihydroindole-5-sulfonamide
CID 9190933

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(methylamino)-N-(thiophen-3-ylmethyl)benzenesulfonamide?
The IUPAC name of N-methyl-4-(methylamino)-N-(thiophen-3-ylmethyl)benzenesulfonamide (CID 43528516) is N-methyl-4-(methylamino)-N-(thiophen-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for N-methyl-4-(methylamino)-N-(thiophen-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for N-methyl-4-(methylamino)-N-(thiophen-3-ylmethyl)benzenesulfonamide is CNc1ccc(S(=O)(=O)N(C)Cc2ccsc2)cc1.
What is the InChIKey of N-methyl-4-(methylamino)-N-(thiophen-3-ylmethyl)benzenesulfonamide?
The InChIKey is ZKOCKXPBQCGQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S2/c1-14-12-3-5-13(6-4-12)19(16,17)15(2)9-11-7-8-18-10-11/h3-8,10,14H,9H2,1-2H3.
What are the key properties of N-methyl-4-(methylamino)-N-(thiophen-3-ylmethyl)benzenesulfonamide?
N-methyl-4-(methylamino)-N-(thiophen-3-ylmethyl)benzenesulfonamide has a molecular weight of 296.42 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(methylamino)-N-(thiophen-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 43528516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).