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

C18H18ClN3O2S2 — CID 3047726

IUPAC2-chloro-N,N-dimethyl-5-(3-methyl-2-phenylimino-1,3-thiazol-4-yl)benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cc(-c2cs/c(=N\c3ccccc3)n2C)ccc1Cl
InChIInChI=1S/C18H18ClN3O2S2/c1-21(2)26(23,24)17-11-13(9-10-15(17)19)16-12-25-18(22(16)3)20-14-7-5-4-6-8-14/h4-12H,1-3H3/b20-18-
InChIKeyNRWBCTIORMNETF-ZZEZOPTASA-N
MW407.95 g/mol
LogP3.89
Rot. Bonds4

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

2-chloro-N,N-dimethyl-5-(3-methyl-2-phenylimino-1,3-thiazol-4-yl)benzenesulfonamide (PubChem CID 3047726) has the molecular formula C18H18ClN3O2S2 and a molecular weight of 407.95 g/mol. Its IUPAC name is 2-chloro-N,N-dimethyl-5-(3-methyl-2-phenylimino-1,3-thiazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N,N-dimethyl-5-(3-methyl-2-phenylimino-1,3-thiazol-4-yl)benzenesulfonamide
PubChem CID3047726
Molecular FormulaC18H18ClN3O2S2
Molecular Weight407.95 g/mol
Exact Mass407.05
IUPAC Name2-chloro-N,N-dimethyl-5-(3-methyl-2-phenylimino-1,3-thiazol-4-yl)benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cc(-c2cs/c(=N\c3ccccc3)n2C)ccc1Cl
InChIInChI=1S/C18H18ClN3O2S2/c1-21(2)26(23,24)17-11-13(9-10-15(17)19)16-12-25-18(22(16)3)20-14-7-5-4-6-8-14/h4-12H,1-3H3/b20-18-
InChIKeyNRWBCTIORMNETF-ZZEZOPTASA-N
XLogP3.89
TPSA54.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.95
LogP ≤ 53.89
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-dimethyl-5-(3-methyl-2-phenylimino-1,3-thiazol-4-yl)benzenesulfonamide?
The IUPAC name of 2-chloro-N,N-dimethyl-5-(3-methyl-2-phenylimino-1,3-thiazol-4-yl)benzenesulfonamide (CID 3047726) is 2-chloro-N,N-dimethyl-5-(3-methyl-2-phenylimino-1,3-thiazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N,N-dimethyl-5-(3-methyl-2-phenylimino-1,3-thiazol-4-yl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N,N-dimethyl-5-(3-methyl-2-phenylimino-1,3-thiazol-4-yl)benzenesulfonamide is CN(C)S(=O)(=O)c1cc(-c2cs/c(=N\c3ccccc3)n2C)ccc1Cl.
What is the InChIKey of 2-chloro-N,N-dimethyl-5-(3-methyl-2-phenylimino-1,3-thiazol-4-yl)benzenesulfonamide?
The InChIKey is NRWBCTIORMNETF-ZZEZOPTASA-N. The full InChI is InChI=1S/C18H18ClN3O2S2/c1-21(2)26(23,24)17-11-13(9-10-15(17)19)16-12-25-18(22(16)3)20-14-7-5-4-6-8-14/h4-12H,1-3H3/b20-18-.
What are the key properties of 2-chloro-N,N-dimethyl-5-(3-methyl-2-phenylimino-1,3-thiazol-4-yl)benzenesulfonamide?
2-chloro-N,N-dimethyl-5-(3-methyl-2-phenylimino-1,3-thiazol-4-yl)benzenesulfonamide has a molecular weight of 407.95 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-dimethyl-5-(3-methyl-2-phenylimino-1,3-thiazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 3047726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).