N-benzyl-3-ethyl-N-methyl-2-oxo-1,3-benzothiazole-6-sulfonamide

C17H18N2O3S2 — CID 53075048

IUPACN-benzyl-3-ethyl-N-methyl-2-oxo-1,3-benzothiazole-6-sulfonamide
SMILESCCn1c(=O)sc2cc(S(=O)(=O)N(C)Cc3ccccc3)ccc21
InChIInChI=1S/C17H18N2O3S2/c1-3-19-15-10-9-14(11-16(15)23-17(19)20)24(21,22)18(2)12-13-7-5-4-6-8-13/h4-11H,3,12H2,1-2H3
InChIKeyGDGKHXCDOSRXEP-UHFFFAOYSA-N
MW362.48 g/mol
LogP2.90
Rot. Bonds5

About N-benzyl-3-ethyl-N-methyl-2-oxo-1,3-benzothiazole-6-sulfonamide

N-benzyl-3-ethyl-N-methyl-2-oxo-1,3-benzothiazole-6-sulfonamide (PubChem CID 53075048) has the molecular formula C17H18N2O3S2 and a molecular weight of 362.48 g/mol. Its IUPAC name is N-benzyl-3-ethyl-N-methyl-2-oxo-1,3-benzothiazole-6-sulfonamide.

Molecular Properties

Compound NameN-benzyl-3-ethyl-N-methyl-2-oxo-1,3-benzothiazole-6-sulfonamide
PubChem CID53075048
Molecular FormulaC17H18N2O3S2
Molecular Weight362.48 g/mol
Exact Mass362.08
IUPAC NameN-benzyl-3-ethyl-N-methyl-2-oxo-1,3-benzothiazole-6-sulfonamide
SMILESCCn1c(=O)sc2cc(S(=O)(=O)N(C)Cc3ccccc3)ccc21
InChIInChI=1S/C17H18N2O3S2/c1-3-19-15-10-9-14(11-16(15)23-17(19)20)24(21,22)18(2)12-13-7-5-4-6-8-13/h4-11H,3,12H2,1-2H3
InChIKeyGDGKHXCDOSRXEP-UHFFFAOYSA-N
XLogP2.90
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-ethyl-N-methyl-2-oxo-1,3-benzothiazole-6-sulfonamide?
The IUPAC name of N-benzyl-3-ethyl-N-methyl-2-oxo-1,3-benzothiazole-6-sulfonamide (CID 53075048) is N-benzyl-3-ethyl-N-methyl-2-oxo-1,3-benzothiazole-6-sulfonamide.
What is the SMILES notation for N-benzyl-3-ethyl-N-methyl-2-oxo-1,3-benzothiazole-6-sulfonamide?
The canonical SMILES for N-benzyl-3-ethyl-N-methyl-2-oxo-1,3-benzothiazole-6-sulfonamide is CCn1c(=O)sc2cc(S(=O)(=O)N(C)Cc3ccccc3)ccc21.
What is the InChIKey of N-benzyl-3-ethyl-N-methyl-2-oxo-1,3-benzothiazole-6-sulfonamide?
The InChIKey is GDGKHXCDOSRXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S2/c1-3-19-15-10-9-14(11-16(15)23-17(19)20)24(21,22)18(2)12-13-7-5-4-6-8-13/h4-11H,3,12H2,1-2H3.
What are the key properties of N-benzyl-3-ethyl-N-methyl-2-oxo-1,3-benzothiazole-6-sulfonamide?
N-benzyl-3-ethyl-N-methyl-2-oxo-1,3-benzothiazole-6-sulfonamide has a molecular weight of 362.48 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-ethyl-N-methyl-2-oxo-1,3-benzothiazole-6-sulfonamide is sourced from PubChem (CID 53075048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).