2,4-dimethoxy-N-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide

C12H14N2O4S2 — CID 110723420

IUPAC2,4-dimethoxy-N-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)c2nccs2)c(OC)c1
InChIInChI=1S/C12H14N2O4S2/c1-14(12-13-6-7-19-12)20(15,16)11-5-4-9(17-2)8-10(11)18-3/h4-8H,1-3H3
InChIKeyMDQLKJAOQAZAPQ-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.99
Rot. Bonds5

About 2,4-dimethoxy-N-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide

2,4-dimethoxy-N-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 110723420) has the molecular formula C12H14N2O4S2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2,4-dimethoxy-N-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dimethoxy-N-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID110723420
Molecular FormulaC12H14N2O4S2
Molecular Weight314.39 g/mol
Exact Mass314.04
IUPAC Name2,4-dimethoxy-N-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)c2nccs2)c(OC)c1
InChIInChI=1S/C12H14N2O4S2/c1-14(12-13-6-7-19-12)20(15,16)11-5-4-9(17-2)8-10(11)18-3/h4-8H,1-3H3
InChIKeyMDQLKJAOQAZAPQ-UHFFFAOYSA-N
XLogP1.99
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2,5-dimethoxy-N-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 110723421
2,4-dimethoxy-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]benzenesulfonamide
CID 167775688
2-chloro-N-[(2,4-dimethoxyphenyl)methyl]-4,5-difluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 118121088
4-[(2,4-dimethoxyphenyl)methyl-(1,3-thiazol-2-yl)sulfamoyl]-3-fluorobenzoic acid
CID 68535595
2-(2,5-dimethoxyphenyl)-N-methyl-N-(1,3-thiazol-2-yl)acetamide
CID 78865572
2,4-dimethoxy-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 110733479
2,4-dimethoxy-N,N-dipropylbenzenesulfonamide
CID 19682152
N-[(2,4-dimethoxyphenyl)methyl]-4-(methylamino)-N-(1,3-thiazol-2-yl)butanamide
CID 119809960
4-ethyl-N-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 110723412
N,N-dibutyl-2,4-dimethoxybenzenesulfonamide
CID 19682241
(2Z,4E)-N-[(2,4-dimethoxyphenyl)methyl]-N-(1,3-thiazol-2-yl)hepta-2,4-diene-4-sulfonamide
CID 144758762
4-methoxy-N-methyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 110715752

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 2,4-dimethoxy-N-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 110723420) is 2,4-dimethoxy-N-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 2,4-dimethoxy-N-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 2,4-dimethoxy-N-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide is COc1ccc(S(=O)(=O)N(C)c2nccs2)c(OC)c1.
What is the InChIKey of 2,4-dimethoxy-N-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is MDQLKJAOQAZAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4S2/c1-14(12-13-6-7-19-12)20(15,16)11-5-4-9(17-2)8-10(11)18-3/h4-8H,1-3H3.
What are the key properties of 2,4-dimethoxy-N-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide?
2,4-dimethoxy-N-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 314.39 g/mol, XLogP of 1.99, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-N-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 110723420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).