3-methyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide

C11H12N2O2S2 — CID 49458470

IUPAC3-methyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCc2cscn2)c1
InChIInChI=1S/C11H12N2O2S2/c1-9-3-2-4-11(5-9)17(14,15)13-6-10-7-16-8-12-10/h2-5,7-8,13H,6H2,1H3
InChIKeyPGEQNFQZBBRFDN-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.93
Rot. Bonds4

About 3-methyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide

3-methyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide (PubChem CID 49458470) has the molecular formula C11H12N2O2S2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-methyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-methyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
PubChem CID49458470
Molecular FormulaC11H12N2O2S2
Molecular Weight268.36 g/mol
Exact Mass268.03
IUPAC Name3-methyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCc2cscn2)c1
InChIInChI=1S/C11H12N2O2S2/c1-9-3-2-4-11(5-9)17(14,15)13-6-10-7-16-8-12-10/h2-5,7-8,13H,6H2,1H3
InChIKeyPGEQNFQZBBRFDN-UHFFFAOYSA-N
XLogP1.93
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-methyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 49458302
4-(aminomethyl)-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 63824323
3-methyl-N-(1,3-oxazol-4-ylmethyl)benzenesulfonamide
CID 110719016
3-methyl-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide
CID 110738003
4-amino-3-chloro-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 113288438
2-oxo-N-(1,3-thiazol-4-ylmethyl)-1,3-dihydrobenzimidazole-5-sulfonamide
CID 49458352
3-chloro-4-(ethylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 107091503
4-(propylamino)-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 63824191
3-bromo-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 63825962
2-amino-N-(1,3-thiazol-4-ylmethyl)quinoline-6-sulfonamide
CID 63823461
3-methyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 91625699
N-[(2,6-difluorophenyl)methyl]-3-methylbenzenesulfonamide
CID 3680647

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-methyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide (CID 49458470) is 3-methyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-methyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-methyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide is Cc1cccc(S(=O)(=O)NCc2cscn2)c1.
What is the InChIKey of 3-methyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide?
The InChIKey is PGEQNFQZBBRFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S2/c1-9-3-2-4-11(5-9)17(14,15)13-6-10-7-16-8-12-10/h2-5,7-8,13H,6H2,1H3.
What are the key properties of 3-methyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide?
3-methyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide has a molecular weight of 268.36 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 49458470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).