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

C17H16FN3O2S2 — CID 110285025

IUPAC4-fluoro-2-methyl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NCCc1csc(-c2cccnc2)n1
InChIInChI=1S/C17H16FN3O2S2/c1-12-9-14(18)4-5-16(12)25(22,23)20-8-6-15-11-24-17(21-15)13-3-2-7-19-10-13/h2-5,7,9-11,20H,6,8H2,1H3
InChIKeyXSIAQWDQATWWCC-UHFFFAOYSA-N
MW377.47 g/mol
LogP3.17
Rot. Bonds6

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

4-fluoro-2-methyl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide (PubChem CID 110285025) has the molecular formula C17H16FN3O2S2 and a molecular weight of 377.47 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
PubChem CID110285025
Molecular FormulaC17H16FN3O2S2
Molecular Weight377.47 g/mol
Exact Mass377.07
IUPAC Name4-fluoro-2-methyl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NCCc1csc(-c2cccnc2)n1
InChIInChI=1S/C17H16FN3O2S2/c1-12-9-14(18)4-5-16(12)25(22,23)20-8-6-15-11-24-17(21-15)13-3-2-7-19-10-13/h2-5,7,9-11,20H,6,8H2,1H3
InChIKeyXSIAQWDQATWWCC-UHFFFAOYSA-N
XLogP3.17
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]thiophene-2-sulfonamide
CID 5310371
N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-2,4-dimethylbenzenesulfonamide
CID 7518601
4-fluoro-N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-2-methylbenzenesulfonamide
CID 110314845
N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-1-(2-methylphenyl)methanesulfonamide
CID 110317221
2-methyl-N-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 110317740
4-fluoro-2-methyl-N-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]benzenesulfonamide
CID 119102922
N-[2-(4-fluorophenyl)ethyl]-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide
CID 110329883
5-fluoro-2-methoxy-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 7693532
2-methoxy-5-methyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 110285072
tert-butyl N-[4-fluoro-2-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]phenyl]carbamate
CID 56571820
4-fluoro-2-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide
CID 110718479
4-fluoro-2-methyl-N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]benzenesulfonamide
CID 110719618

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-2-methyl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide (CID 110285025) is 4-fluoro-2-methyl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-2-methyl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-2-methyl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide is Cc1cc(F)ccc1S(=O)(=O)NCCc1csc(-c2cccnc2)n1.
What is the InChIKey of 4-fluoro-2-methyl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
The InChIKey is XSIAQWDQATWWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2S2/c1-12-9-14(18)4-5-16(12)25(22,23)20-8-6-15-11-24-17(21-15)13-3-2-7-19-10-13/h2-5,7,9-11,20H,6,8H2,1H3.
What are the key properties of 4-fluoro-2-methyl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
4-fluoro-2-methyl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide has a molecular weight of 377.47 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 110285025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).