2,5-dimethyl-N-[3-(1,3-thiazol-2-yl)phenyl]benzenesulfonamide

C17H16N2O2S2 — CID 171822730

IUPAC2,5-dimethyl-N-[3-(1,3-thiazol-2-yl)phenyl]benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2cccc(-c3nccs3)c2)c1
InChIInChI=1S/C17H16N2O2S2/c1-12-6-7-13(2)16(10-12)23(20,21)19-15-5-3-4-14(11-15)17-18-8-9-22-17/h3-11,19H,1-2H3
InChIKeyFANOLEGREAVBDP-UHFFFAOYSA-N
MW344.46 g/mol
LogP4.23
Rot. Bonds4

About 2,5-dimethyl-N-[3-(1,3-thiazol-2-yl)phenyl]benzenesulfonamide

2,5-dimethyl-N-[3-(1,3-thiazol-2-yl)phenyl]benzenesulfonamide (PubChem CID 171822730) has the molecular formula C17H16N2O2S2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 2,5-dimethyl-N-[3-(1,3-thiazol-2-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[3-(1,3-thiazol-2-yl)phenyl]benzenesulfonamide
PubChem CID171822730
Molecular FormulaC17H16N2O2S2
Molecular Weight344.46 g/mol
Exact Mass344.07
IUPAC Name2,5-dimethyl-N-[3-(1,3-thiazol-2-yl)phenyl]benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2cccc(-c3nccs3)c2)c1
InChIInChI=1S/C17H16N2O2S2/c1-12-6-7-13(2)16(10-12)23(20,21)19-15-5-3-4-14(11-15)17-18-8-9-22-17/h3-11,19H,1-2H3
InChIKeyFANOLEGREAVBDP-UHFFFAOYSA-N
XLogP4.23
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(1,3-thiazol-2-yl)phenyl]-1H-pyrazole-5-sulfonamide
CID 102691960
4-amino-N-[3-(1,3-thiazol-2-yl)phenyl]thiophene-2-sulfonamide
CID 61300199
methyl 4-[[3-(1,3-thiazol-2-yl)phenyl]sulfamoyl]benzoate
CID 55920700
2,5-dimethyl-N-(4-phenylphenyl)benzenesulfonamide
CID 925055
ethane;N-methyl-3-(1,3-thiazol-2-yl)aniline
CID 143181511
N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-2,5-dimethylbenzenesulfonamide
CID 41159293
N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-2,5-dimethylbenzenesulfonamide
CID 90557048
2,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 110738865
N-(3-cyanophenyl)-2,5-dimethylbenzenesulfonamide
CID 2098329
1-(2,4-dimethylphenyl)sulfonyl-N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide
CID 55991355
N-[(5-fluoro-2-methylphenyl)methyl]-3-(1,3-thiazol-2-yl)aniline
CID 103944201
N-(2,6-dimethylphenyl)-2,5-dimethylbenzenesulfonamide
CID 8504690

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[3-(1,3-thiazol-2-yl)phenyl]benzenesulfonamide?
The IUPAC name of 2,5-dimethyl-N-[3-(1,3-thiazol-2-yl)phenyl]benzenesulfonamide (CID 171822730) is 2,5-dimethyl-N-[3-(1,3-thiazol-2-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-[3-(1,3-thiazol-2-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 2,5-dimethyl-N-[3-(1,3-thiazol-2-yl)phenyl]benzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)Nc2cccc(-c3nccs3)c2)c1.
What is the InChIKey of 2,5-dimethyl-N-[3-(1,3-thiazol-2-yl)phenyl]benzenesulfonamide?
The InChIKey is FANOLEGREAVBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S2/c1-12-6-7-13(2)16(10-12)23(20,21)19-15-5-3-4-14(11-15)17-18-8-9-22-17/h3-11,19H,1-2H3.
What are the key properties of 2,5-dimethyl-N-[3-(1,3-thiazol-2-yl)phenyl]benzenesulfonamide?
2,5-dimethyl-N-[3-(1,3-thiazol-2-yl)phenyl]benzenesulfonamide has a molecular weight of 344.46 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[3-(1,3-thiazol-2-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 171822730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).