4-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)benzenesulfonamide

C9H9ClN2O2S2 — CID 957595

IUPAC4-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(NC1=NCCS1)c1ccc(Cl)cc1
InChIInChI=1S/C9H9ClN2O2S2/c10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9/h1-4H,5-6H2,(H,11,12)
InChIKeyPBZWIKHWZFAUPG-UHFFFAOYSA-N
MW276.77 g/mol
LogP1.72
Rot. Bonds2

About 4-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)benzenesulfonamide

4-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 957595) has the molecular formula C9H9ClN2O2S2 and a molecular weight of 276.77 g/mol. Its IUPAC name is 4-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID957595
Molecular FormulaC9H9ClN2O2S2
Molecular Weight276.77 g/mol
Exact Mass275.98
IUPAC Name4-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(NC1=NCCS1)c1ccc(Cl)cc1
InChIInChI=1S/C9H9ClN2O2S2/c10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9/h1-4H,5-6H2,(H,11,12)
InChIKeyPBZWIKHWZFAUPG-UHFFFAOYSA-N
XLogP1.72
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)benzenesulfonamide (CID 957595) is 4-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)benzenesulfonamide is O=S(=O)(NC1=NCCS1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is PBZWIKHWZFAUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O2S2/c10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9/h1-4H,5-6H2,(H,11,12).
What are the key properties of 4-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)benzenesulfonamide?
4-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 276.77 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 957595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).