3-(ethoxymethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide

C12H14N2O3S2 — CID 71689341

IUPAC3-(ethoxymethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCCOCc1cccc(S(=O)(=O)Nc2nccs2)c1
InChIInChI=1S/C12H14N2O3S2/c1-2-17-9-10-4-3-5-11(8-10)19(15,16)14-12-13-6-7-18-12/h3-8H,2,9H2,1H3,(H,13,14)
InChIKeyCLVHOWCQFGFMBX-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.48
Rot. Bonds6

About 3-(ethoxymethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide

3-(ethoxymethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 71689341) has the molecular formula C12H14N2O3S2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 3-(ethoxymethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-(ethoxymethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID71689341
Molecular FormulaC12H14N2O3S2
Molecular Weight298.39 g/mol
Exact Mass298.04
IUPAC Name3-(ethoxymethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCCOCc1cccc(S(=O)(=O)Nc2nccs2)c1
InChIInChI=1S/C12H14N2O3S2/c1-2-17-9-10-4-3-5-11(8-10)19(15,16)14-12-13-6-7-18-12/h3-8H,2,9H2,1H3,(H,13,14)
InChIKeyCLVHOWCQFGFMBX-UHFFFAOYSA-N
XLogP2.48
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(propan-2-yloxymethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 75537839
3-(phenoxymethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 71691339
3-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 25044262
3-(ethylamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 114263537
3-amino-4-ethyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 43256868
4-amino-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]pentanamide
CID 120563834
4-benzylsulfonyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 87471470
1-(benzenesulfonyl)-3-(ethoxymethyl)benzene
CID 134455223
2-amino-2-methyl-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]pentanamide;hydrochloride
CID 119814954
N-tert-butyl-3-[2-methyl-2-(1,3-thiazol-2-ylamino)propyl]benzenesulfonamide
CID 155073938
ethane;4-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
CID 145483672
3-amino-4-methoxy-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 28509857

Frequently Asked Questions

What is the IUPAC name of 3-(ethoxymethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 3-(ethoxymethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 71689341) is 3-(ethoxymethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-(ethoxymethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 3-(ethoxymethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide is CCOCc1cccc(S(=O)(=O)Nc2nccs2)c1.
What is the InChIKey of 3-(ethoxymethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is CLVHOWCQFGFMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S2/c1-2-17-9-10-4-3-5-11(8-10)19(15,16)14-12-13-6-7-18-12/h3-8H,2,9H2,1H3,(H,13,14).
What are the key properties of 3-(ethoxymethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
3-(ethoxymethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 298.39 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxymethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 71689341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).