4-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methoxybenzenesulfonamide

C16H15ClN2O4S2 — CID 66486153

IUPAC4-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methoxybenzenesulfonamide
SMILESCCOc1ccc2nc(NS(=O)(=O)c3ccc(Cl)c(OC)c3)sc2c1
InChIInChI=1S/C16H15ClN2O4S2/c1-3-23-10-4-7-13-15(8-10)24-16(18-13)19-25(20,21)11-5-6-12(17)14(9-11)22-2/h4-9H,3H2,1-2H3,(H,18,19)
InChIKeyNQTJUXKKPWGRRN-UHFFFAOYSA-N
MW398.89 g/mol
LogP4.16
Rot. Bonds6

About 4-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methoxybenzenesulfonamide

4-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methoxybenzenesulfonamide (PubChem CID 66486153) has the molecular formula C16H15ClN2O4S2 and a molecular weight of 398.89 g/mol. Its IUPAC name is 4-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methoxybenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methoxybenzenesulfonamide
PubChem CID66486153
Molecular FormulaC16H15ClN2O4S2
Molecular Weight398.89 g/mol
Exact Mass398.02
IUPAC Name4-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methoxybenzenesulfonamide
SMILESCCOc1ccc2nc(NS(=O)(=O)c3ccc(Cl)c(OC)c3)sc2c1
InChIInChI=1S/C16H15ClN2O4S2/c1-3-23-10-4-7-13-15(8-10)24-16(18-13)19-25(20,21)11-5-6-12(17)14(9-11)22-2/h4-9H,3H2,1-2H3,(H,18,19)
InChIKeyNQTJUXKKPWGRRN-UHFFFAOYSA-N
XLogP4.16
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methylbenzenesulfonamide
CID 57411915
N-(6-ethoxy-1,3-benzothiazol-2-yl)propane-1-sulfonamide
CID 60640590
1-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)methanesulfonamide
CID 83085276
2-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-methylsulfonylbenzamide
CID 8883217
N-(6-methoxy-1,3-benzothiazol-2-yl)benzenesulfonamide
CID 670284
4-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)butane-1-sulfonamide
CID 116814837
3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methoxybenzamide
CID 18854268
4-methoxy-N-(6-nitro-1,3-benzothiazol-2-yl)benzenesulfonamide
CID 4180216
3-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfamoyl]-4-methylbenzoic acid
CID 7573756
3-(diethylsulfamoyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methoxybenzamide
CID 26251702
3-(3-chloro-4-methoxyphenyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide
CID 167848378
3-(4-chlorophenyl)sulfonyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide
CID 18076696

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methoxybenzenesulfonamide?
The IUPAC name of 4-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methoxybenzenesulfonamide (CID 66486153) is 4-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methoxybenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methoxybenzenesulfonamide?
The canonical SMILES for 4-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methoxybenzenesulfonamide is CCOc1ccc2nc(NS(=O)(=O)c3ccc(Cl)c(OC)c3)sc2c1.
What is the InChIKey of 4-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methoxybenzenesulfonamide?
The InChIKey is NQTJUXKKPWGRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O4S2/c1-3-23-10-4-7-13-15(8-10)24-16(18-13)19-25(20,21)11-5-6-12(17)14(9-11)22-2/h4-9H,3H2,1-2H3,(H,18,19).
What are the key properties of 4-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methoxybenzenesulfonamide?
4-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methoxybenzenesulfonamide has a molecular weight of 398.89 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methoxybenzenesulfonamide is sourced from PubChem (CID 66486153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).