3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide

C12H14N2O2S2 — CID 49460269

IUPAC3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCCc2nccs2)c1
InChIInChI=1S/C12H14N2O2S2/c1-10-3-2-4-11(9-10)18(15,16)14-6-5-12-13-7-8-17-12/h2-4,7-9,14H,5-6H2,1H3
InChIKeyNMPWIXXVIIVLEU-UHFFFAOYSA-N
MW282.39 g/mol
LogP1.97
Rot. Bonds5

About 3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide

3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide (PubChem CID 49460269) has the molecular formula C12H14N2O2S2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
PubChem CID49460269
Molecular FormulaC12H14N2O2S2
Molecular Weight282.39 g/mol
Exact Mass282.05
IUPAC Name3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCCc2nccs2)c1
InChIInChI=1S/C12H14N2O2S2/c1-10-3-2-4-11(9-10)18(15,16)14-6-5-12-13-7-8-17-12/h2-4,7-9,14H,5-6H2,1H3
InChIKeyNMPWIXXVIIVLEU-UHFFFAOYSA-N
XLogP1.97
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 110317603
3-methyl-N-[2-(1,3-thiazol-5-yl)ethyl]benzenesulfonamide
CID 110717603
3-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 25044262
4-amino-3-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 82844642
N-[2-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 49460186
N-[2-(3,4-dichlorophenyl)ethyl]-3-methylbenzenesulfonamide
CID 3687846
N-[2-(1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 49460202
3-chloro-4-cyano-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 115598540
3-cyano-4-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 63239719
N-[2-(5-benzyl-4-methyl-1,3-thiazol-2-yl)ethyl]-3-methylbenzenesulfonamide
CID 110645576
3,4-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 110446621
N-(2-aminoethyl)-3-methylbenzenesulfonamide;hydrochloride
CID 119960152

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide (CID 49460269) is 3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide is Cc1cccc(S(=O)(=O)NCCc2nccs2)c1.
What is the InChIKey of 3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
The InChIKey is NMPWIXXVIIVLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S2/c1-10-3-2-4-11(9-10)18(15,16)14-6-5-12-13-7-8-17-12/h2-4,7-9,14H,5-6H2,1H3.
What are the key properties of 3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide has a molecular weight of 282.39 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 49460269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).