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

C18H18ClN3O2S2 — CID 20527108

IUPAC2-chloro-N-ethyl-5-(3-methyl-2-phenylimino-1,3-thiazol-4-yl)benzenesulfonamide
SMILESCCNS(=O)(=O)c1cc(-c2cs/c(=N\c3ccccc3)n2C)ccc1Cl
InChIInChI=1S/C18H18ClN3O2S2/c1-3-20-26(23,24)17-11-13(9-10-15(17)19)16-12-25-18(22(16)2)21-14-7-5-4-6-8-14/h4-12,20H,3H2,1-2H3/b21-18-
InChIKeyXUBKOHSKLATKLW-UZYVYHOESA-N
MW407.95 g/mol
LogP3.94
Rot. Bonds5

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

2-chloro-N-ethyl-5-(3-methyl-2-phenylimino-1,3-thiazol-4-yl)benzenesulfonamide (PubChem CID 20527108) has the molecular formula C18H18ClN3O2S2 and a molecular weight of 407.95 g/mol. Its IUPAC name is 2-chloro-N-ethyl-5-(3-methyl-2-phenylimino-1,3-thiazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-ethyl-5-(3-methyl-2-phenylimino-1,3-thiazol-4-yl)benzenesulfonamide
PubChem CID20527108
Molecular FormulaC18H18ClN3O2S2
Molecular Weight407.95 g/mol
Exact Mass407.05
IUPAC Name2-chloro-N-ethyl-5-(3-methyl-2-phenylimino-1,3-thiazol-4-yl)benzenesulfonamide
SMILESCCNS(=O)(=O)c1cc(-c2cs/c(=N\c3ccccc3)n2C)ccc1Cl
InChIInChI=1S/C18H18ClN3O2S2/c1-3-20-26(23,24)17-11-13(9-10-15(17)19)16-12-25-18(22(16)2)21-14-7-5-4-6-8-14/h4-12,20H,3H2,1-2H3/b21-18-
InChIKeyXUBKOHSKLATKLW-UZYVYHOESA-N
XLogP3.94
TPSA63.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.95
LogP ≤ 53.94
H-Bond Donors ≤ 51
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-ethyl-5-(3-methyl-2-phenylimino-1,3-thiazol-4-yl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-ethyl-5-(3-methyl-2-phenylimino-1,3-thiazol-4-yl)benzenesulfonamide (CID 20527108) is 2-chloro-N-ethyl-5-(3-methyl-2-phenylimino-1,3-thiazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-ethyl-5-(3-methyl-2-phenylimino-1,3-thiazol-4-yl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-ethyl-5-(3-methyl-2-phenylimino-1,3-thiazol-4-yl)benzenesulfonamide is CCNS(=O)(=O)c1cc(-c2cs/c(=N\c3ccccc3)n2C)ccc1Cl.
What is the InChIKey of 2-chloro-N-ethyl-5-(3-methyl-2-phenylimino-1,3-thiazol-4-yl)benzenesulfonamide?
The InChIKey is XUBKOHSKLATKLW-UZYVYHOESA-N. The full InChI is InChI=1S/C18H18ClN3O2S2/c1-3-20-26(23,24)17-11-13(9-10-15(17)19)16-12-25-18(22(16)2)21-14-7-5-4-6-8-14/h4-12,20H,3H2,1-2H3/b21-18-.
What are the key properties of 2-chloro-N-ethyl-5-(3-methyl-2-phenylimino-1,3-thiazol-4-yl)benzenesulfonamide?
2-chloro-N-ethyl-5-(3-methyl-2-phenylimino-1,3-thiazol-4-yl)benzenesulfonamide has a molecular weight of 407.95 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-5-(3-methyl-2-phenylimino-1,3-thiazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 20527108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).