5-chloro-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-methoxybenzenesulfonamide

C16H15ClN2O4S2 — CID 50800114

IUPAC5-chloro-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-methoxybenzenesulfonamide
SMILESCCn1c(=O)sc2cc(NS(=O)(=O)c3cc(Cl)ccc3OC)ccc21
InChIInChI=1S/C16H15ClN2O4S2/c1-3-19-12-6-5-11(9-14(12)24-16(19)20)18-25(21,22)15-8-10(17)4-7-13(15)23-2/h4-9,18H,3H2,1-2H3
InChIKeyGXYJWASUYRYVIK-UHFFFAOYSA-N
MW398.89 g/mol
LogP3.55
Rot. Bonds5

About 5-chloro-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-methoxybenzenesulfonamide

5-chloro-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-methoxybenzenesulfonamide (PubChem CID 50800114) has the molecular formula C16H15ClN2O4S2 and a molecular weight of 398.89 g/mol. Its IUPAC name is 5-chloro-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-methoxybenzenesulfonamide
PubChem CID50800114
Molecular FormulaC16H15ClN2O4S2
Molecular Weight398.89 g/mol
Exact Mass398.02
IUPAC Name5-chloro-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-methoxybenzenesulfonamide
SMILESCCn1c(=O)sc2cc(NS(=O)(=O)c3cc(Cl)ccc3OC)ccc21
InChIInChI=1S/C16H15ClN2O4S2/c1-3-19-12-6-5-11(9-14(12)24-16(19)20)18-25(21,22)15-8-10(17)4-7-13(15)23-2/h4-9,18H,3H2,1-2H3
InChIKeyGXYJWASUYRYVIK-UHFFFAOYSA-N
XLogP3.55
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 100548336
2,5-dimethoxy-N-(2-oxo-3-propyl-1,3-benzothiazol-6-yl)benzenesulfonamide
CID 50800156
N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-3-iodo-4-methoxybenzenesulfonamide
CID 100540988
N-(3-benzyl-2-oxo-1,3-benzothiazol-6-yl)-2,5-dimethoxybenzenesulfonamide
CID 50800263
3-ethyl-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 100725688
N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-3,4-dimethylbenzenesulfonamide
CID 50744059
3-(2,5-dioxopyrrolidin-1-yl)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-4-methoxybenzenesulfonamide
CID 100548267
N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)methanesulfonamide
CID 100540910
5-chloro-N-(3,4-dimethoxyphenyl)-2-methoxybenzenesulfonamide
CID 3706982
N-(3-chlorophenyl)-3-ethyl-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 100722674
N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-4-fluoro-3-methylbenzenesulfonamide
CID 15990432
3-(azepane-1-carbonyl)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-4-methoxybenzenesulfonamide
CID 100541386

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-methoxybenzenesulfonamide?
The IUPAC name of 5-chloro-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-methoxybenzenesulfonamide (CID 50800114) is 5-chloro-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-chloro-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-chloro-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-methoxybenzenesulfonamide is CCn1c(=O)sc2cc(NS(=O)(=O)c3cc(Cl)ccc3OC)ccc21.
What is the InChIKey of 5-chloro-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-methoxybenzenesulfonamide?
The InChIKey is GXYJWASUYRYVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O4S2/c1-3-19-12-6-5-11(9-14(12)24-16(19)20)18-25(21,22)15-8-10(17)4-7-13(15)23-2/h4-9,18H,3H2,1-2H3.
What are the key properties of 5-chloro-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-methoxybenzenesulfonamide?
5-chloro-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-methoxybenzenesulfonamide has a molecular weight of 398.89 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 50800114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).