N-[2-(cyanomethoxy)phenyl]-2-methyl-1,3-thiazole-5-sulfonamide

C12H11N3O3S2 — CID 103414535

IUPACN-[2-(cyanomethoxy)phenyl]-2-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)Nc2ccccc2OCC#N)s1
InChIInChI=1S/C12H11N3O3S2/c1-9-14-8-12(19-9)20(16,17)15-10-4-2-3-5-11(10)18-7-6-13/h2-5,8,15H,7H2,1H3
InChIKeyIXMRZTBBBCKLGN-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.15
Rot. Bonds5

About N-[2-(cyanomethoxy)phenyl]-2-methyl-1,3-thiazole-5-sulfonamide

N-[2-(cyanomethoxy)phenyl]-2-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 103414535) has the molecular formula C12H11N3O3S2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[2-(cyanomethoxy)phenyl]-2-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-[2-(cyanomethoxy)phenyl]-2-methyl-1,3-thiazole-5-sulfonamide
PubChem CID103414535
Molecular FormulaC12H11N3O3S2
Molecular Weight309.37 g/mol
Exact Mass309.02
IUPAC NameN-[2-(cyanomethoxy)phenyl]-2-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)Nc2ccccc2OCC#N)s1
InChIInChI=1S/C12H11N3O3S2/c1-9-14-8-12(19-9)20(16,17)15-10-4-2-3-5-11(10)18-7-6-13/h2-5,8,15H,7H2,1H3
InChIKeyIXMRZTBBBCKLGN-UHFFFAOYSA-N
XLogP2.15
TPSA92.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-4-chloro-N-[2-(cyanomethoxy)phenyl]thiophene-2-sulfonamide
CID 80577549
4-bromo-N-[2-(cyanomethoxy)phenyl]benzenesulfonamide
CID 43369751
N-(3-iodo-2-methylphenyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 113368495
N-(2-amino-4-methylphenyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103413785
2-methyl-6-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid
CID 103847453
N-(4-amino-2-chlorophenyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103413759
N-[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]-2-methyl-1,3-thiazole-5-sulfonamide
CID 103415554
N-(2-amino-4-methoxyphenyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103413734
2-fluoro-6-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid
CID 103798280
2-methyl-N-[4-(methylaminomethyl)phenyl]-1,3-thiazole-5-sulfonamide
CID 106911075
N-[2-(cyanomethoxy)phenyl]-4-methylpiperidine-1-sulfonamide
CID 43369772
5-methoxy-2-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid
CID 104589390

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyanomethoxy)phenyl]-2-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-[2-(cyanomethoxy)phenyl]-2-methyl-1,3-thiazole-5-sulfonamide (CID 103414535) is N-[2-(cyanomethoxy)phenyl]-2-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-[2-(cyanomethoxy)phenyl]-2-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-[2-(cyanomethoxy)phenyl]-2-methyl-1,3-thiazole-5-sulfonamide is Cc1ncc(S(=O)(=O)Nc2ccccc2OCC#N)s1.
What is the InChIKey of N-[2-(cyanomethoxy)phenyl]-2-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is IXMRZTBBBCKLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3S2/c1-9-14-8-12(19-9)20(16,17)15-10-4-2-3-5-11(10)18-7-6-13/h2-5,8,15H,7H2,1H3.
What are the key properties of N-[2-(cyanomethoxy)phenyl]-2-methyl-1,3-thiazole-5-sulfonamide?
N-[2-(cyanomethoxy)phenyl]-2-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 309.37 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyanomethoxy)phenyl]-2-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 103414535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).