N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide

C11H12N2O2S2 — CID 23020749

IUPACN-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
SMILESCc1nc(CNS(=O)(=O)c2ccccc2)cs1
InChIInChI=1S/C11H12N2O2S2/c1-9-13-10(8-16-9)7-12-17(14,15)11-5-3-2-4-6-11/h2-6,8,12H,7H2,1H3
InChIKeyBJYDKPKNXFDUKE-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.93
Rot. Bonds4

About N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide

N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide (PubChem CID 23020749) has the molecular formula C11H12N2O2S2 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
PubChem CID23020749
Molecular FormulaC11H12N2O2S2
Molecular Weight268.36 g/mol
Exact Mass268.03
IUPAC NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
SMILESCc1nc(CNS(=O)(=O)c2ccccc2)cs1
InChIInChI=1S/C11H12N2O2S2/c1-9-13-10(8-16-9)7-12-17(14,15)11-5-3-2-4-6-11/h2-6,8,12H,7H2,1H3
InChIKeyBJYDKPKNXFDUKE-UHFFFAOYSA-N
XLogP1.93
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzene-1-sulfonamide
CID 23603416
N-{[2-(2-thienyl)-1,3-thiazol-4-yl]methyl}benzenesulfonamide
CID 2738759
5-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide
CID 3237364
N-[(2-phenyl-1,3-thiazol-4-yl)methyl]ethanesulfonamide
CID 5310004
2-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 5310200
4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 7152309
2,4,6-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 23603417
4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 23603418
4-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzene-1-sulfonamide
CID 23603420
N-[(2-phenyl-1,3-thiazol-4-yl)methyl]methanesulfonamide
CID 3242939
2,5-difluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzene-1-sulfonamide
CID 3240550
2,4-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 3241045

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
The IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide (CID 23020749) is N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide is Cc1nc(CNS(=O)(=O)c2ccccc2)cs1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
The InChIKey is BJYDKPKNXFDUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S2/c1-9-13-10(8-16-9)7-12-17(14,15)11-5-3-2-4-6-11/h2-6,8,12H,7H2,1H3.
What are the key properties of N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide has a molecular weight of 268.36 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 23020749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).