4-methoxy-N-methyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide

C12H14N2O3S2 — CID 110715752

IUPAC4-methoxy-N-methyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)Cc2nccs2)cc1
InChIInChI=1S/C12H14N2O3S2/c1-14(9-12-13-7-8-18-12)19(15,16)11-5-3-10(17-2)4-6-11/h3-8H,9H2,1-2H3
InChIKeyVBIWUJGHCAXCOJ-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.97
Rot. Bonds5

About 4-methoxy-N-methyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide

4-methoxy-N-methyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide (PubChem CID 110715752) has the molecular formula C12H14N2O3S2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 4-methoxy-N-methyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-methyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
PubChem CID110715752
Molecular FormulaC12H14N2O3S2
Molecular Weight298.39 g/mol
Exact Mass298.04
IUPAC Name4-methoxy-N-methyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)Cc2nccs2)cc1
InChIInChI=1S/C12H14N2O3S2/c1-14(9-12-13-7-8-18-12)19(15,16)11-5-3-10(17-2)4-6-11/h3-8H,9H2,1-2H3
InChIKeyVBIWUJGHCAXCOJ-UHFFFAOYSA-N
XLogP1.97
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)-4-methoxy-N-methylbenzenesulfonamide
CID 9189850
2-(4-methoxyphenyl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 110715683
2-methoxy-N,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 110715765
N,3-dimethyl-2-oxo-N-(1,3-thiazol-2-ylmethyl)-1,3-benzoxazole-6-sulfonamide
CID 110715789
1-[4-[methyl(1,3-thiazol-2-ylmethyl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 154744361
2-[(4-methoxyphenyl)methyl]-1,3-thiazole
CID 57476546
N-(furan-2-ylmethyl)-4-methoxy-N-methylbenzenesulfonamide
CID 7510148
N-[(2-chlorophenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide
CID 7510019
6-amino-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-sulfonamide
CID 62158613
N-methyl-2-(3-methylbutanoyl)-N-(1,3-thiazol-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 70708718
2-(3-aminopropanoyl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-6-sulfonamide
CID 70777075
N-[(2,4-dimethoxyphenyl)methyl]-4-ethoxy-N-methylbenzenesulfonamide
CID 7937784

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-methoxy-N-methyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide (CID 110715752) is 4-methoxy-N-methyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-methyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-methyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide is COc1ccc(S(=O)(=O)N(C)Cc2nccs2)cc1.
What is the InChIKey of 4-methoxy-N-methyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide?
The InChIKey is VBIWUJGHCAXCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S2/c1-14(9-12-13-7-8-18-12)19(15,16)11-5-3-10(17-2)4-6-11/h3-8H,9H2,1-2H3.
What are the key properties of 4-methoxy-N-methyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide?
4-methoxy-N-methyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide has a molecular weight of 298.39 g/mol, XLogP of 1.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 110715752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).