2-chloro-5-cyano-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide

C11H8ClN3O3S2 — CID 104919318

IUPAC2-chloro-5-cyano-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide
SMILESN#Cc1ccc(Cl)c(S(=O)(=O)NCc2csc(=O)[nH]2)c1
InChIInChI=1S/C11H8ClN3O3S2/c12-9-2-1-7(4-13)3-10(9)20(17,18)14-5-8-6-19-11(16)15-8/h1-3,6,14H,5H2,(H,15,16)
InChIKeyJZSCPHLXLAOWDV-UHFFFAOYSA-N
MW329.79 g/mol
LogP1.44
Rot. Bonds4

About 2-chloro-5-cyano-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide

2-chloro-5-cyano-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide (PubChem CID 104919318) has the molecular formula C11H8ClN3O3S2 and a molecular weight of 329.79 g/mol. Its IUPAC name is 2-chloro-5-cyano-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-cyano-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide
PubChem CID104919318
Molecular FormulaC11H8ClN3O3S2
Molecular Weight329.79 g/mol
Exact Mass328.97
IUPAC Name2-chloro-5-cyano-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide
SMILESN#Cc1ccc(Cl)c(S(=O)(=O)NCc2csc(=O)[nH]2)c1
InChIInChI=1S/C11H8ClN3O3S2/c12-9-2-1-7(4-13)3-10(9)20(17,18)14-5-8-6-19-11(16)15-8/h1-3,6,14H,5H2,(H,15,16)
InChIKeyJZSCPHLXLAOWDV-UHFFFAOYSA-N
XLogP1.44
TPSA102.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-5-(methylaminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 106383869
2-chloro-5-cyano-N-ethylbenzenesulfonamide
CID 80704238
2-chloro-5-cyano-N-[(4-hydroxyphenyl)methyl]benzenesulfonamide
CID 114332498
2-chloro-N-(2-chloroethyl)-5-cyanobenzenesulfonamide
CID 80704394
2-chloro-5-cyano-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzenesulfonamide
CID 114694139
2-chloro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-3-sulfonamide
CID 103868103
N-(2-aminoethyl)-2-chloro-5-cyanobenzenesulfonamide
CID 80704011
2,4-dibromo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 113341895
2-chloro-5-cyano-N-(2-oxopropyl)benzenesulfonamide
CID 80704539
N-(3-bromopropyl)-2-chloro-5-cyanobenzenesulfonamide
CID 80704321
2-chloro-5-cyano-N-hex-5-ynylbenzenesulfonamide
CID 104919304
2-chloro-5-cyano-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
CID 80704491

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-cyano-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 2-chloro-5-cyano-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide (CID 104919318) is 2-chloro-5-cyano-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-5-cyano-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-5-cyano-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide is N#Cc1ccc(Cl)c(S(=O)(=O)NCc2csc(=O)[nH]2)c1.
What is the InChIKey of 2-chloro-5-cyano-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
The InChIKey is JZSCPHLXLAOWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3O3S2/c12-9-2-1-7(4-13)3-10(9)20(17,18)14-5-8-6-19-11(16)15-8/h1-3,6,14H,5H2,(H,15,16).
What are the key properties of 2-chloro-5-cyano-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
2-chloro-5-cyano-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide has a molecular weight of 329.79 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-cyano-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 104919318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).