N-(5-ethoxy-1,3-benzothiazol-2-yl)-3,4-dimethoxybenzenesulfonamide

C17H18N2O5S2 — CID 2212156

IUPACN-(5-ethoxy-1,3-benzothiazol-2-yl)-3,4-dimethoxybenzenesulfonamide
SMILESCCOc1ccc2sc(NS(=O)(=O)c3ccc(OC)c(OC)c3)nc2c1
InChIInChI=1S/C17H18N2O5S2/c1-4-24-11-5-8-16-13(9-11)18-17(25-16)19-26(20,21)12-6-7-14(22-2)15(10-12)23-3/h5-10H,4H2,1-3H3,(H,18,19)
InChIKeyBUDNMBPMBINVOU-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.51
Rot. Bonds7

About N-(5-ethoxy-1,3-benzothiazol-2-yl)-3,4-dimethoxybenzenesulfonamide

N-(5-ethoxy-1,3-benzothiazol-2-yl)-3,4-dimethoxybenzenesulfonamide (PubChem CID 2212156) has the molecular formula C17H18N2O5S2 and a molecular weight of 394.47 g/mol. Its IUPAC name is N-(5-ethoxy-1,3-benzothiazol-2-yl)-3,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(5-ethoxy-1,3-benzothiazol-2-yl)-3,4-dimethoxybenzenesulfonamide
PubChem CID2212156
Molecular FormulaC17H18N2O5S2
Molecular Weight394.47 g/mol
Exact Mass394.07
IUPAC NameN-(5-ethoxy-1,3-benzothiazol-2-yl)-3,4-dimethoxybenzenesulfonamide
SMILESCCOc1ccc2sc(NS(=O)(=O)c3ccc(OC)c(OC)c3)nc2c1
InChIInChI=1S/C17H18N2O5S2/c1-4-24-11-5-8-16-13(9-11)18-17(25-16)19-26(20,21)12-6-7-14(22-2)15(10-12)23-3/h5-10H,4H2,1-3H3,(H,18,19)
InChIKeyBUDNMBPMBINVOU-UHFFFAOYSA-N
XLogP3.51
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethoxy-1,3-benzothiazol-2-yl)-3,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-(5-ethoxy-1,3-benzothiazol-2-yl)-3,4-dimethoxybenzenesulfonamide (CID 2212156) is N-(5-ethoxy-1,3-benzothiazol-2-yl)-3,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-(5-ethoxy-1,3-benzothiazol-2-yl)-3,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-(5-ethoxy-1,3-benzothiazol-2-yl)-3,4-dimethoxybenzenesulfonamide is CCOc1ccc2sc(NS(=O)(=O)c3ccc(OC)c(OC)c3)nc2c1.
What is the InChIKey of N-(5-ethoxy-1,3-benzothiazol-2-yl)-3,4-dimethoxybenzenesulfonamide?
The InChIKey is BUDNMBPMBINVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5S2/c1-4-24-11-5-8-16-13(9-11)18-17(25-16)19-26(20,21)12-6-7-14(22-2)15(10-12)23-3/h5-10H,4H2,1-3H3,(H,18,19).
What are the key properties of N-(5-ethoxy-1,3-benzothiazol-2-yl)-3,4-dimethoxybenzenesulfonamide?
N-(5-ethoxy-1,3-benzothiazol-2-yl)-3,4-dimethoxybenzenesulfonamide has a molecular weight of 394.47 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethoxy-1,3-benzothiazol-2-yl)-3,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 2212156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).