N-(3-chlorophenyl)-3-ethyl-2-oxo-1,3-benzothiazole-6-sulfonamide

C15H13ClN2O3S2 — CID 100722674

IUPACN-(3-chlorophenyl)-3-ethyl-2-oxo-1,3-benzothiazole-6-sulfonamide
SMILESCCn1c(=O)sc2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc21
InChIInChI=1S/C15H13ClN2O3S2/c1-2-18-13-7-6-12(9-14(13)22-15(18)19)23(20,21)17-11-5-3-4-10(16)8-11/h3-9,17H,2H2,1H3
InChIKeyRSXDZPGFSQXOKG-UHFFFAOYSA-N
MW368.87 g/mol
LogP3.54
Rot. Bonds4

About N-(3-chlorophenyl)-3-ethyl-2-oxo-1,3-benzothiazole-6-sulfonamide

N-(3-chlorophenyl)-3-ethyl-2-oxo-1,3-benzothiazole-6-sulfonamide (PubChem CID 100722674) has the molecular formula C15H13ClN2O3S2 and a molecular weight of 368.87 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-ethyl-2-oxo-1,3-benzothiazole-6-sulfonamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-ethyl-2-oxo-1,3-benzothiazole-6-sulfonamide
PubChem CID100722674
Molecular FormulaC15H13ClN2O3S2
Molecular Weight368.87 g/mol
Exact Mass368.01
IUPAC NameN-(3-chlorophenyl)-3-ethyl-2-oxo-1,3-benzothiazole-6-sulfonamide
SMILESCCn1c(=O)sc2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc21
InChIInChI=1S/C15H13ClN2O3S2/c1-2-18-13-7-6-12(9-14(13)22-15(18)19)23(20,21)17-11-5-3-4-10(16)8-11/h3-9,17H,2H2,1H3
InChIKeyRSXDZPGFSQXOKG-UHFFFAOYSA-N
XLogP3.54
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.87
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chlorophenyl)-2-oxo-3-(3-oxo-3-piperidin-1-ylpropyl)-1,3-benzothiazole-6-sulfonamide
CID 53080986
N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-3,4-dimethylbenzenesulfonamide
CID 50744059
N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-4-fluoro-3-methylbenzenesulfonamide
CID 15990432
N-[4-(cyanomethyl)phenyl]-3-ethyl-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 100723396
3-[(4-chlorophenyl)methyl]-N-(3-nitrophenyl)-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 100751319
3-ethyl-2-oxo-N-[4-(trifluoromethoxy)phenyl]-1,3-benzothiazole-6-sulfonamide
CID 100500053
3-ethyl-2-oxo-N-pentyl-1,3-benzothiazole-6-sulfonamide
CID 100724111
N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-3-iodo-4-methoxybenzenesulfonamide
CID 100540988
5-chloro-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-methoxybenzenesulfonamide
CID 50800114
3-benzyl-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 100536922
N-(2-chloro-5-nitrophenyl)-3-ethyl-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 100725623
N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)methanesulfonamide
CID 100540910

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-ethyl-2-oxo-1,3-benzothiazole-6-sulfonamide?
The IUPAC name of N-(3-chlorophenyl)-3-ethyl-2-oxo-1,3-benzothiazole-6-sulfonamide (CID 100722674) is N-(3-chlorophenyl)-3-ethyl-2-oxo-1,3-benzothiazole-6-sulfonamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-ethyl-2-oxo-1,3-benzothiazole-6-sulfonamide?
The canonical SMILES for N-(3-chlorophenyl)-3-ethyl-2-oxo-1,3-benzothiazole-6-sulfonamide is CCn1c(=O)sc2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc21.
What is the InChIKey of N-(3-chlorophenyl)-3-ethyl-2-oxo-1,3-benzothiazole-6-sulfonamide?
The InChIKey is RSXDZPGFSQXOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3S2/c1-2-18-13-7-6-12(9-14(13)22-15(18)19)23(20,21)17-11-5-3-4-10(16)8-11/h3-9,17H,2H2,1H3.
What are the key properties of N-(3-chlorophenyl)-3-ethyl-2-oxo-1,3-benzothiazole-6-sulfonamide?
N-(3-chlorophenyl)-3-ethyl-2-oxo-1,3-benzothiazole-6-sulfonamide has a molecular weight of 368.87 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-ethyl-2-oxo-1,3-benzothiazole-6-sulfonamide is sourced from PubChem (CID 100722674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).