3,4-dichloro-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide

C16H13Cl2N3O2S2 — CID 121122441

IUPAC3,4-dichloro-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
SMILESCc1nc(-c2cccnc2)sc1CNS(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H13Cl2N3O2S2/c1-10-15(24-16(21-10)11-3-2-6-19-8-11)9-20-25(22,23)12-4-5-13(17)14(18)7-12/h2-8,20H,9H2,1H3
InChIKeyFZBJWXHKCFYYJM-UHFFFAOYSA-N
MW414.34 g/mol
LogP4.30
Rot. Bonds5

About 3,4-dichloro-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide

3,4-dichloro-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide (PubChem CID 121122441) has the molecular formula C16H13Cl2N3O2S2 and a molecular weight of 414.34 g/mol. Its IUPAC name is 3,4-dichloro-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
PubChem CID121122441
Molecular FormulaC16H13Cl2N3O2S2
Molecular Weight414.34 g/mol
Exact Mass412.98
IUPAC Name3,4-dichloro-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
SMILESCc1nc(-c2cccnc2)sc1CNS(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H13Cl2N3O2S2/c1-10-15(24-16(21-10)11-3-2-6-19-8-11)9-20-25(22,23)12-4-5-13(17)14(18)7-12/h2-8,20H,9H2,1H3
InChIKeyFZBJWXHKCFYYJM-UHFFFAOYSA-N
XLogP4.30
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.34
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3,4-dichloro-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide with MolForge

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Related Compounds

3,4-dimethyl-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 121122416
3,5-dimethyl-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 121122475
2-chloro-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-5-nitrobenzenesulfonamide
CID 121122452
4-butoxy-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 121122432
N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]quinoline-8-sulfonamide
CID 121122496
N-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide
CID 7207713
N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-4-phenylbenzenesulfonamide
CID 121121722
2,5-dichloro-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]benzamide
CID 121122024
5-bromo-2-ethoxy-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 121122443
4-fluoro-N-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 18563012
N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]naphthalene-2-sulfonamide
CID 121123387
3,4-dimethoxy-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 121121697

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide (CID 121122441) is 3,4-dichloro-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide is Cc1nc(-c2cccnc2)sc1CNS(=O)(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide?
The InChIKey is FZBJWXHKCFYYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3O2S2/c1-10-15(24-16(21-10)11-3-2-6-19-8-11)9-20-25(22,23)12-4-5-13(17)14(18)7-12/h2-8,20H,9H2,1H3.
What are the key properties of 3,4-dichloro-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide?
3,4-dichloro-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide has a molecular weight of 414.34 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 121122441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).