2-chloro-N,N-diethyl-5-(3-methyl-2-phenylimino-1,3-thiazol-4-yl)benzenesulfonamide

C20H22ClN3O2S2 — CID 20527217

IUPAC2-chloro-N,N-diethyl-5-(3-methyl-2-phenylimino-1,3-thiazol-4-yl)benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(-c2cs/c(=N\c3ccccc3)n2C)ccc1Cl
InChIInChI=1S/C20H22ClN3O2S2/c1-4-24(5-2)28(25,26)19-13-15(11-12-17(19)21)18-14-27-20(23(18)3)22-16-9-7-6-8-10-16/h6-14H,4-5H2,1-3H3/b22-20-
InChIKeyRZLHLXKBQZBZFZ-XDOYNYLZSA-N
MW436.00 g/mol
LogP4.67
Rot. Bonds6

About 2-chloro-N,N-diethyl-5-(3-methyl-2-phenylimino-1,3-thiazol-4-yl)benzenesulfonamide

2-chloro-N,N-diethyl-5-(3-methyl-2-phenylimino-1,3-thiazol-4-yl)benzenesulfonamide (PubChem CID 20527217) has the molecular formula C20H22ClN3O2S2 and a molecular weight of 436.00 g/mol. Its IUPAC name is 2-chloro-N,N-diethyl-5-(3-methyl-2-phenylimino-1,3-thiazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N,N-diethyl-5-(3-methyl-2-phenylimino-1,3-thiazol-4-yl)benzenesulfonamide
PubChem CID20527217
Molecular FormulaC20H22ClN3O2S2
Molecular Weight436.00 g/mol
Exact Mass435.08
IUPAC Name2-chloro-N,N-diethyl-5-(3-methyl-2-phenylimino-1,3-thiazol-4-yl)benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(-c2cs/c(=N\c3ccccc3)n2C)ccc1Cl
InChIInChI=1S/C20H22ClN3O2S2/c1-4-24(5-2)28(25,26)19-13-15(11-12-17(19)21)18-14-27-20(23(18)3)22-16-9-7-6-8-10-16/h6-14H,4-5H2,1-3H3/b22-20-
InChIKeyRZLHLXKBQZBZFZ-XDOYNYLZSA-N
XLogP4.67
TPSA54.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.00
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-diethyl-5-(3-methyl-2-phenylimino-1,3-thiazol-4-yl)benzenesulfonamide?
The IUPAC name of 2-chloro-N,N-diethyl-5-(3-methyl-2-phenylimino-1,3-thiazol-4-yl)benzenesulfonamide (CID 20527217) is 2-chloro-N,N-diethyl-5-(3-methyl-2-phenylimino-1,3-thiazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N,N-diethyl-5-(3-methyl-2-phenylimino-1,3-thiazol-4-yl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N,N-diethyl-5-(3-methyl-2-phenylimino-1,3-thiazol-4-yl)benzenesulfonamide is CCN(CC)S(=O)(=O)c1cc(-c2cs/c(=N\c3ccccc3)n2C)ccc1Cl.
What is the InChIKey of 2-chloro-N,N-diethyl-5-(3-methyl-2-phenylimino-1,3-thiazol-4-yl)benzenesulfonamide?
The InChIKey is RZLHLXKBQZBZFZ-XDOYNYLZSA-N. The full InChI is InChI=1S/C20H22ClN3O2S2/c1-4-24(5-2)28(25,26)19-13-15(11-12-17(19)21)18-14-27-20(23(18)3)22-16-9-7-6-8-10-16/h6-14H,4-5H2,1-3H3/b22-20-.
What are the key properties of 2-chloro-N,N-diethyl-5-(3-methyl-2-phenylimino-1,3-thiazol-4-yl)benzenesulfonamide?
2-chloro-N,N-diethyl-5-(3-methyl-2-phenylimino-1,3-thiazol-4-yl)benzenesulfonamide has a molecular weight of 436.00 g/mol, XLogP of 4.67, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-diethyl-5-(3-methyl-2-phenylimino-1,3-thiazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 20527217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).