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

C16H13F2N3O2S2 — CID 7119061

IUPAC2,5-difluoro-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1csc(-c2cccnc2)n1)c1cc(F)ccc1F
InChIInChI=1S/C16H13F2N3O2S2/c17-12-3-4-14(18)15(8-12)25(22,23)20-7-5-13-10-24-16(21-13)11-2-1-6-19-9-11/h1-4,6,8-10,20H,5,7H2
InChIKeyMFFQLPRDOSCVCN-UHFFFAOYSA-N
MW381.43 g/mol
LogP3.00
Rot. Bonds6

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

2,5-difluoro-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide (PubChem CID 7119061) has the molecular formula C16H13F2N3O2S2 and a molecular weight of 381.43 g/mol. Its IUPAC name is 2,5-difluoro-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
PubChem CID7119061
Molecular FormulaC16H13F2N3O2S2
Molecular Weight381.43 g/mol
Exact Mass381.04
IUPAC Name2,5-difluoro-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1csc(-c2cccnc2)n1)c1cc(F)ccc1F
InChIInChI=1S/C16H13F2N3O2S2/c17-12-3-4-14(18)15(8-12)25(22,23)20-7-5-13-10-24-16(21-13)11-2-1-6-19-9-11/h1-4,6,8-10,20H,5,7H2
InChIKeyMFFQLPRDOSCVCN-UHFFFAOYSA-N
XLogP3.00
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Vonoprazan
CID 15981397
N-(4-(2-(2-propylpyridin-4-yl)thiazol-4-yl)phenyl)methanesulfonamide
CID 25012898
4-Phenyl-2-(pyridin-3-yl)thiazole
CID 701015
4-(4-Pyridin-3-yl-thiazol-2-ylamino)-benzenesulfonamide
CID 3120504
4-(3,4-Difluorophenyl)-2-pyridin-3-yl-1,3-thiazole
CID 2800024
2-Phenyl-4-pyridin-3-yl-1,3-thiazole
CID 2725998
2-(3-Pyridinyl)-4-[4-(1-pyrrolidinylsulfonyl)phenyl]thiazole
CID 1033156
2,4,6-trimethyl-N-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide
CID 7202342
4-(2-Fluorophenyl)-2-pyridin-3-yl-1,3-thiazole
CID 2347880
4-(3,4-Difluorophenyl)-2-pyridin-2-yl-1,3-thiazole
CID 2446134
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyridine-3-sulfonamide
CID 16195644
3-{4-[4-(Methylsulfonyl)phenyl]-1,3-thiazol-2-yl}pyridine
CID 16413299

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide (CID 7119061) is 2,5-difluoro-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide is O=S(=O)(NCCc1csc(-c2cccnc2)n1)c1cc(F)ccc1F.
What is the InChIKey of 2,5-difluoro-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
The InChIKey is MFFQLPRDOSCVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3O2S2/c17-12-3-4-14(18)15(8-12)25(22,23)20-7-5-13-10-24-16(21-13)11-2-1-6-19-9-11/h1-4,6,8-10,20H,5,7H2.
What are the key properties of 2,5-difluoro-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
2,5-difluoro-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide has a molecular weight of 381.43 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 7119061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).