1-phenyl-N-[[2-(1,3-thiazol-2-yl)phenyl]methyl]methanesulfonamide

C17H16N2O2S2 — CID 110446196

IUPAC1-phenyl-N-[[2-(1,3-thiazol-2-yl)phenyl]methyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NCc1ccccc1-c1nccs1
InChIInChI=1S/C17H16N2O2S2/c20-23(21,13-14-6-2-1-3-7-14)19-12-15-8-4-5-9-16(15)17-18-10-11-22-17/h1-11,19H,12-13H2
InChIKeyKLILZTFKCPOKDR-UHFFFAOYSA-N
MW344.46 g/mol
LogP3.43
Rot. Bonds6

About 1-phenyl-N-[[2-(1,3-thiazol-2-yl)phenyl]methyl]methanesulfonamide

1-phenyl-N-[[2-(1,3-thiazol-2-yl)phenyl]methyl]methanesulfonamide (PubChem CID 110446196) has the molecular formula C17H16N2O2S2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 1-phenyl-N-[[2-(1,3-thiazol-2-yl)phenyl]methyl]methanesulfonamide.

Molecular Properties

Compound Name1-phenyl-N-[[2-(1,3-thiazol-2-yl)phenyl]methyl]methanesulfonamide
PubChem CID110446196
Molecular FormulaC17H16N2O2S2
Molecular Weight344.46 g/mol
Exact Mass344.07
IUPAC Name1-phenyl-N-[[2-(1,3-thiazol-2-yl)phenyl]methyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NCc1ccccc1-c1nccs1
InChIInChI=1S/C17H16N2O2S2/c20-23(21,13-14-6-2-1-3-7-14)19-12-15-8-4-5-9-16(15)17-18-10-11-22-17/h1-11,19H,12-13H2
InChIKeyKLILZTFKCPOKDR-UHFFFAOYSA-N
XLogP3.43
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[(2-methoxy-3-pyridinyl)methyl]-1-phenylmethanesulfonamide
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1-phenyl-N-(quinolin-4-ylmethyl)methanesulfonamide
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1-phenyl-N-(pyridin-4-ylmethyl)methanesulfonamide
CID 669282
1-(4-chlorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanesulfonamide
CID 110738887
1-phenyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]methanesulfonamide
CID 2738760
3,4-difluoro-N-[[2-(1,3-thiazol-2-yl)phenyl]methyl]benzamide
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N-[[2-[2-[2-(4-hydroxyphenyl)ethenyl]phenyl]phenyl]methyl]-1-phenylmethanesulfonamide
CID 123824288
2-(1,3-thiazol-2-yl)benzoic acid
CID 19979384

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[[2-(1,3-thiazol-2-yl)phenyl]methyl]methanesulfonamide?
The IUPAC name of 1-phenyl-N-[[2-(1,3-thiazol-2-yl)phenyl]methyl]methanesulfonamide (CID 110446196) is 1-phenyl-N-[[2-(1,3-thiazol-2-yl)phenyl]methyl]methanesulfonamide.
What is the SMILES notation for 1-phenyl-N-[[2-(1,3-thiazol-2-yl)phenyl]methyl]methanesulfonamide?
The canonical SMILES for 1-phenyl-N-[[2-(1,3-thiazol-2-yl)phenyl]methyl]methanesulfonamide is O=S(=O)(Cc1ccccc1)NCc1ccccc1-c1nccs1.
What is the InChIKey of 1-phenyl-N-[[2-(1,3-thiazol-2-yl)phenyl]methyl]methanesulfonamide?
The InChIKey is KLILZTFKCPOKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S2/c20-23(21,13-14-6-2-1-3-7-14)19-12-15-8-4-5-9-16(15)17-18-10-11-22-17/h1-11,19H,12-13H2.
What are the key properties of 1-phenyl-N-[[2-(1,3-thiazol-2-yl)phenyl]methyl]methanesulfonamide?
1-phenyl-N-[[2-(1,3-thiazol-2-yl)phenyl]methyl]methanesulfonamide has a molecular weight of 344.46 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[[2-(1,3-thiazol-2-yl)phenyl]methyl]methanesulfonamide is sourced from PubChem (CID 110446196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).