4-methoxy-N-(2-oxo-3-propyl-1,3-benzothiazol-6-yl)benzenesulfonamide

C17H18N2O4S2 — CID 50800192

IUPAC4-methoxy-N-(2-oxo-3-propyl-1,3-benzothiazol-6-yl)benzenesulfonamide
SMILESCCCn1c(=O)sc2cc(NS(=O)(=O)c3ccc(OC)cc3)ccc21
InChIInChI=1S/C17H18N2O4S2/c1-3-10-19-15-9-4-12(11-16(15)24-17(19)20)18-25(21,22)14-7-5-13(23-2)6-8-14/h4-9,11,18H,3,10H2,1-2H3
InChIKeyIKYCXXPDDSWBPB-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.28
Rot. Bonds6

About 4-methoxy-N-(2-oxo-3-propyl-1,3-benzothiazol-6-yl)benzenesulfonamide

4-methoxy-N-(2-oxo-3-propyl-1,3-benzothiazol-6-yl)benzenesulfonamide (PubChem CID 50800192) has the molecular formula C17H18N2O4S2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 4-methoxy-N-(2-oxo-3-propyl-1,3-benzothiazol-6-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-(2-oxo-3-propyl-1,3-benzothiazol-6-yl)benzenesulfonamide
PubChem CID50800192
Molecular FormulaC17H18N2O4S2
Molecular Weight378.48 g/mol
Exact Mass378.07
IUPAC Name4-methoxy-N-(2-oxo-3-propyl-1,3-benzothiazol-6-yl)benzenesulfonamide
SMILESCCCn1c(=O)sc2cc(NS(=O)(=O)c3ccc(OC)cc3)ccc21
InChIInChI=1S/C17H18N2O4S2/c1-3-10-19-15-9-4-12(11-16(15)24-17(19)20)18-25(21,22)14-7-5-13(23-2)6-8-14/h4-9,11,18H,3,10H2,1-2H3
InChIKeyIKYCXXPDDSWBPB-UHFFFAOYSA-N
XLogP3.28
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(2-oxo-3-propyl-1,3-benzothiazol-6-yl)benzenesulfonamide?
The IUPAC name of 4-methoxy-N-(2-oxo-3-propyl-1,3-benzothiazol-6-yl)benzenesulfonamide (CID 50800192) is 4-methoxy-N-(2-oxo-3-propyl-1,3-benzothiazol-6-yl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-(2-oxo-3-propyl-1,3-benzothiazol-6-yl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-(2-oxo-3-propyl-1,3-benzothiazol-6-yl)benzenesulfonamide is CCCn1c(=O)sc2cc(NS(=O)(=O)c3ccc(OC)cc3)ccc21.
What is the InChIKey of 4-methoxy-N-(2-oxo-3-propyl-1,3-benzothiazol-6-yl)benzenesulfonamide?
The InChIKey is IKYCXXPDDSWBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S2/c1-3-10-19-15-9-4-12(11-16(15)24-17(19)20)18-25(21,22)14-7-5-13(23-2)6-8-14/h4-9,11,18H,3,10H2,1-2H3.
What are the key properties of 4-methoxy-N-(2-oxo-3-propyl-1,3-benzothiazol-6-yl)benzenesulfonamide?
4-methoxy-N-(2-oxo-3-propyl-1,3-benzothiazol-6-yl)benzenesulfonamide has a molecular weight of 378.48 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(2-oxo-3-propyl-1,3-benzothiazol-6-yl)benzenesulfonamide is sourced from PubChem (CID 50800192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).