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

C15H11ClN2O2S2 — CID 3132916

IUPAC3-chloro-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nc(-c2ccccc2)cs1)c1cccc(Cl)c1
InChIInChI=1S/C15H11ClN2O2S2/c16-12-7-4-8-13(9-12)22(19,20)18-15-17-14(10-21-15)11-5-2-1-3-6-11/h1-10H,(H,17,18)
InChIKeyNMGXNNGDUQZNHW-UHFFFAOYSA-N
MW350.85 g/mol
LogP4.26
Rot. Bonds4

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

3-chloro-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 3132916) has the molecular formula C15H11ClN2O2S2 and a molecular weight of 350.85 g/mol. Its IUPAC name is 3-chloro-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID3132916
Molecular FormulaC15H11ClN2O2S2
Molecular Weight350.85 g/mol
Exact Mass350.00
IUPAC Name3-chloro-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nc(-c2ccccc2)cs1)c1cccc(Cl)c1
InChIInChI=1S/C15H11ClN2O2S2/c16-12-7-4-8-13(9-12)22(19,20)18-15-17-14(10-21-15)11-5-2-1-3-6-11/h1-10H,(H,17,18)
InChIKeyNMGXNNGDUQZNHW-UHFFFAOYSA-N
XLogP4.26
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_F(1)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 3-chloro-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide (CID 3132916) is 3-chloro-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 3-chloro-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide is O=S(=O)(Nc1nc(-c2ccccc2)cs1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is NMGXNNGDUQZNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O2S2/c16-12-7-4-8-13(9-12)22(19,20)18-15-17-14(10-21-15)11-5-2-1-3-6-11/h1-10H,(H,17,18).
What are the key properties of 3-chloro-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide?
3-chloro-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 350.85 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 3132916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).