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

C15H13ClN2O3S2 — CID 16934057

IUPAC4-chloro-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzenesulfonamide
SMILESCCOc1cccc2sc(NS(=O)(=O)c3ccc(Cl)cc3)nc12
InChIInChI=1S/C15H13ClN2O3S2/c1-2-21-12-4-3-5-13-14(12)17-15(22-13)18-23(19,20)11-8-6-10(16)7-9-11/h3-9H,2H2,1H3,(H,17,18)
InChIKeyBWHOAURFNFVRCA-UHFFFAOYSA-N
MW368.87 g/mol
LogP4.15
Rot. Bonds5

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

4-chloro-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzenesulfonamide (PubChem CID 16934057) has the molecular formula C15H13ClN2O3S2 and a molecular weight of 368.87 g/mol. Its IUPAC name is 4-chloro-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzenesulfonamide
PubChem CID16934057
Molecular FormulaC15H13ClN2O3S2
Molecular Weight368.87 g/mol
Exact Mass368.01
IUPAC Name4-chloro-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzenesulfonamide
SMILESCCOc1cccc2sc(NS(=O)(=O)c3ccc(Cl)cc3)nc12
InChIInChI=1S/C15H13ClN2O3S2/c1-2-21-12-4-3-5-13-14(12)17-15(22-13)18-23(19,20)11-8-6-10(16)7-9-11/h3-9H,2H2,1H3,(H,17,18)
InChIKeyBWHOAURFNFVRCA-UHFFFAOYSA-N
XLogP4.15
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.87
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)sulfonyl-N-(4-ethoxy-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide
CID 16827733
4-iodo-N-(4-methoxy-1,3-benzothiazol-2-yl)benzenesulfonamide
CID 3376104
N-(4-chloro-1,3-benzothiazol-2-yl)-4-methoxybenzenesulfonamide
CID 16934023
4-[(4-chlorophenyl)sulfonylamino]-N-[2-[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide;hydrochloride
CID 121045137
2-[(4-chlorophenyl)sulfonylamino]-N-[2-[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide
CID 121041275
2-chloro-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 5185443
N-(4-ethoxy-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfonylpropanamide
CID 7544064
2-(2-chlorophenoxy)-N-(4-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 19214384
N'-(4-ethoxy-1,3-benzothiazol-2-yl)-4-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 16825080
2-(5-chlorothiophen-2-yl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 41340393
N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-fluorobenzamide
CID 867640
N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-methoxybenzamide
CID 19214365

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzenesulfonamide (CID 16934057) is 4-chloro-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzenesulfonamide is CCOc1cccc2sc(NS(=O)(=O)c3ccc(Cl)cc3)nc12.
What is the InChIKey of 4-chloro-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzenesulfonamide?
The InChIKey is BWHOAURFNFVRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3S2/c1-2-21-12-4-3-5-13-14(12)17-15(22-13)18-23(19,20)11-8-6-10(16)7-9-11/h3-9H,2H2,1H3,(H,17,18).
What are the key properties of 4-chloro-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzenesulfonamide?
4-chloro-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzenesulfonamide has a molecular weight of 368.87 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 16934057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).