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

C16H15N3O2S2 — CID 110318286

IUPAC2-methyl-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NCc1nc(-c2ccncc2)cs1
InChIInChI=1S/C16H15N3O2S2/c1-12-4-2-3-5-15(12)23(20,21)18-10-16-19-14(11-22-16)13-6-8-17-9-7-13/h2-9,11,18H,10H2,1H3
InChIKeyAIICMOCXJDCJJZ-UHFFFAOYSA-N
MW345.45 g/mol
LogP2.99
Rot. Bonds5

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

2-methyl-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]benzenesulfonamide (PubChem CID 110318286) has the molecular formula C16H15N3O2S2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 2-methyl-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
PubChem CID110318286
Molecular FormulaC16H15N3O2S2
Molecular Weight345.45 g/mol
Exact Mass345.06
IUPAC Name2-methyl-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NCc1nc(-c2ccncc2)cs1
InChIInChI=1S/C16H15N3O2S2/c1-12-4-2-3-5-15(12)23(20,21)18-10-16-19-14(11-22-16)13-6-8-17-9-7-13/h2-9,11,18H,10H2,1H3
InChIKeyAIICMOCXJDCJJZ-UHFFFAOYSA-N
XLogP2.99
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methylphenyl)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]methanesulfonamide
CID 110318268
2-methyl-N-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 110317740
2-methyl-N-[[4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]methyl]benzenesulfonamide
CID 110351164
2,4-dimethyl-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 110317831
1-(3-methylphenyl)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]methanesulfonamide
CID 110318269
N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]-1-(2-methylphenyl)methanesulfonamide
CID 110393734
3-chloro-4-methoxy-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 110318264
N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110318257
2-methyl-4-nitro-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]benzenesulfonamide
CID 56522258
(4-pyridin-4-yl-1,3-thiazol-2-yl)methylhydrazine
CID 116970238
4-methoxy-2,6-dimethyl-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 110317993
N-[(3-bromothiophen-2-yl)methyl]-2-methylbenzenesulfonamide
CID 79471456

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 2-methyl-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]benzenesulfonamide (CID 110318286) is 2-methyl-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-methyl-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2-methyl-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]benzenesulfonamide is Cc1ccccc1S(=O)(=O)NCc1nc(-c2ccncc2)cs1.
What is the InChIKey of 2-methyl-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]benzenesulfonamide?
The InChIKey is AIICMOCXJDCJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S2/c1-12-4-2-3-5-15(12)23(20,21)18-10-16-19-14(11-22-16)13-6-8-17-9-7-13/h2-9,11,18H,10H2,1H3.
What are the key properties of 2-methyl-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]benzenesulfonamide?
2-methyl-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]benzenesulfonamide has a molecular weight of 345.45 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 110318286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).