2,5-dimethoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide

C13H16N2O4S2 — CID 5310239

IUPAC2,5-dimethoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NCc2csc(C)n2)c1
InChIInChI=1S/C13H16N2O4S2/c1-9-15-10(8-20-9)7-14-21(16,17)13-6-11(18-2)4-5-12(13)19-3/h4-6,8,14H,7H2,1-3H3
InChIKeyKHKMDUCHOUMACF-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.95
Rot. Bonds6

About 2,5-dimethoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide

2,5-dimethoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide (PubChem CID 5310239) has the molecular formula C13H16N2O4S2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 2,5-dimethoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
PubChem CID5310239
Molecular FormulaC13H16N2O4S2
Molecular Weight328.42 g/mol
Exact Mass328.06
IUPAC Name2,5-dimethoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NCc2csc(C)n2)c1
InChIInChI=1S/C13H16N2O4S2/c1-9-15-10(8-20-9)7-14-21(16,17)13-6-11(18-2)4-5-12(13)19-3/h4-6,8,14H,7H2,1-3H3
InChIKeyKHKMDUCHOUMACF-UHFFFAOYSA-N
XLogP1.95
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 2,5-dimethoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide (CID 5310239) is 2,5-dimethoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dimethoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2,5-dimethoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)NCc2csc(C)n2)c1.
What is the InChIKey of 2,5-dimethoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
The InChIKey is KHKMDUCHOUMACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4S2/c1-9-15-10(8-20-9)7-14-21(16,17)13-6-11(18-2)4-5-12(13)19-3/h4-6,8,14H,7H2,1-3H3.
What are the key properties of 2,5-dimethoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
2,5-dimethoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide has a molecular weight of 328.42 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 5310239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).