2-cyano-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide

C12H11N3O2S2 — CID 110739071

IUPAC2-cyano-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
SMILESCc1cnc(CNS(=O)(=O)c2ccccc2C#N)s1
InChIInChI=1S/C12H11N3O2S2/c1-9-7-14-12(18-9)8-15-19(16,17)11-5-3-2-4-10(11)6-13/h2-5,7,15H,8H2,1H3
InChIKeySYLCAZJUQFVBJY-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.80
Rot. Bonds4

About 2-cyano-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide

2-cyano-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide (PubChem CID 110739071) has the molecular formula C12H11N3O2S2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-cyano-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-cyano-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
PubChem CID110739071
Molecular FormulaC12H11N3O2S2
Molecular Weight293.37 g/mol
Exact Mass293.03
IUPAC Name2-cyano-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
SMILESCc1cnc(CNS(=O)(=O)c2ccccc2C#N)s1
InChIInChI=1S/C12H11N3O2S2/c1-9-7-14-12(18-9)8-15-19(16,17)11-5-3-2-4-10(11)6-13/h2-5,7,15H,8H2,1H3
InChIKeySYLCAZJUQFVBJY-UHFFFAOYSA-N
XLogP1.80
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyano-N-[(5-methylthiophen-2-yl)methyl]benzenesulfonamide
CID 62057216
2-cyano-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 2572565
2-cyano-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide
CID 62309272
4-hydrazinyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyridine-3-sulfonamide
CID 114128380
2-[[(2-cyanophenyl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66379328
2-cyano-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]benzenesulfonamide
CID 110873488
2-cyano-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 60729128
2-cyano-N-[(2-methyl-1H-indol-3-yl)methyl]benzenesulfonamide
CID 110782386
2-cyano-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]benzenesulfonamide
CID 110359602
4-fluoro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 110739007
2-cyano-N-prop-2-ynylbenzenesulfonamide
CID 9356113
2-cyano-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 26948091

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 2-cyano-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide (CID 110739071) is 2-cyano-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-cyano-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2-cyano-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide is Cc1cnc(CNS(=O)(=O)c2ccccc2C#N)s1.
What is the InChIKey of 2-cyano-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide?
The InChIKey is SYLCAZJUQFVBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2S2/c1-9-7-14-12(18-9)8-15-19(16,17)11-5-3-2-4-10(11)6-13/h2-5,7,15H,8H2,1H3.
What are the key properties of 2-cyano-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide?
2-cyano-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide has a molecular weight of 293.37 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 110739071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).