(NZ)-N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)-3-nitrobenzenesulfonamide

C15H19N3O4S2 — CID 6509784

IUPAC(NZ)-N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)-3-nitrobenzenesulfonamide
SMILESCc1c(C(C)(C)C)s/c(=N\S(=O)(=O)c2cccc([N+](=O)[O-])c2)n1C
InChIInChI=1S/C15H19N3O4S2/c1-10-13(15(2,3)4)23-14(17(10)5)16-24(21,22)12-8-6-7-11(9-12)18(19)20/h6-9H,1-5H3/b16-14-
InChIKeyDVJYFYQACAKCOT-PEZBUJJGSA-N
MW369.47 g/mol
LogP2.89
Rot. Bonds3

About (NZ)-N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)-3-nitrobenzenesulfonamide

(NZ)-N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)-3-nitrobenzenesulfonamide (PubChem CID 6509784) has the molecular formula C15H19N3O4S2 and a molecular weight of 369.47 g/mol. Its IUPAC name is (NZ)-N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)-3-nitrobenzenesulfonamide.

Molecular Properties

Compound Name(NZ)-N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)-3-nitrobenzenesulfonamide
PubChem CID6509784
Molecular FormulaC15H19N3O4S2
Molecular Weight369.47 g/mol
Exact Mass369.08
IUPAC Name(NZ)-N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)-3-nitrobenzenesulfonamide
SMILESCc1c(C(C)(C)C)s/c(=N\S(=O)(=O)c2cccc([N+](=O)[O-])c2)n1C
InChIInChI=1S/C15H19N3O4S2/c1-10-13(15(2,3)4)23-14(17(10)5)16-24(21,22)12-8-6-7-11(9-12)18(19)20/h6-9H,1-5H3/b16-14-
InChIKeyDVJYFYQACAKCOT-PEZBUJJGSA-N
XLogP2.89
TPSA94.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(NZ)-N-(5-tert-butyl-3-ethyl-4-methyl-thiazol-2-ylidene)-3-nitro-benzenesulfonamide
CID 9567685
(NZ)-3-nitro-N-(3,4,5-trimethylthiazol-2-ylidene)benzenesulfonamide
CID 9567687
(NZ)-N-(5-ethyl-3,4-dimethyl-thiazol-2-ylidene)-3-nitro-benzenesulfonamide
CID 9567688
(NZ)-N-(5-isopropyl-3,4-dimethyl-thiazol-2-ylidene)-3-nitro-benzenesulfonamide
CID 9567689
(NZ)-N-(5-isopropyl-3-methyl-thiazol-2-ylidene)-3-nitro-benzenesulfonamide
CID 9567691
(NZ)-N-[5-isopropyl-3-methyl-4-(trifluoromethyl)thiazol-2-ylidene]-3-nitro-benzenesulfonamide
CID 9567693
(NZ)-N-(4-chloro-5-isopropyl-3-methyl-thiazol-2-ylidene)-3-nitro-benzenesulfonamide
CID 9567695
(NZ)-N-(3,4-dimethyl-5-vinyl-thiazol-2-ylidene)-3-nitro-benzenesulfonamide
CID 9567696
(NZ)-N-(4-cyano-5-isopropyl-3-methyl-thiazol-2-ylidene)-3-nitro-benzenesulfonamide
CID 9567698
N-methyl-N-(3-methyl-1,1-dioxidotetrahydrothiophen-3-yl)-3-nitrobenzenesulfonamide
CID 16268834
N,N-Dimethyl 3-nitrobenzenesulfonamide
CID 224495
(NZ)-N-(5-tert-butyl-3,4-dimethyl-thiazol-2-ylidene)-5-chloro-2-nitro-benzenesulfonamide
CID 9567730

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)-3-nitrobenzenesulfonamide?
The IUPAC name of (NZ)-N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)-3-nitrobenzenesulfonamide (CID 6509784) is (NZ)-N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)-3-nitrobenzenesulfonamide.
What is the SMILES notation for (NZ)-N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)-3-nitrobenzenesulfonamide?
The canonical SMILES for (NZ)-N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)-3-nitrobenzenesulfonamide is Cc1c(C(C)(C)C)s/c(=N\S(=O)(=O)c2cccc([N+](=O)[O-])c2)n1C.
What is the InChIKey of (NZ)-N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)-3-nitrobenzenesulfonamide?
The InChIKey is DVJYFYQACAKCOT-PEZBUJJGSA-N. The full InChI is InChI=1S/C15H19N3O4S2/c1-10-13(15(2,3)4)23-14(17(10)5)16-24(21,22)12-8-6-7-11(9-12)18(19)20/h6-9H,1-5H3/b16-14-.
What are the key properties of (NZ)-N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)-3-nitrobenzenesulfonamide?
(NZ)-N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)-3-nitrobenzenesulfonamide has a molecular weight of 369.47 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)-3-nitrobenzenesulfonamide is sourced from PubChem (CID 6509784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).