N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-4-methoxybenzenesulfonamide

C18H17FN2O3S2 — CID 7522037

IUPACN-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCc2csc(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C18H17FN2O3S2/c1-24-16-6-8-17(9-7-16)26(22,23)20-11-10-15-12-25-18(21-15)13-2-4-14(19)5-3-13/h2-9,12,20H,10-11H2,1H3
InChIKeyNPOGEDVVVQRKOV-UHFFFAOYSA-N
MW392.48 g/mol
LogP3.48
Rot. Bonds7

About N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-4-methoxybenzenesulfonamide

N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-4-methoxybenzenesulfonamide (PubChem CID 7522037) has the molecular formula C18H17FN2O3S2 and a molecular weight of 392.48 g/mol. Its IUPAC name is N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-4-methoxybenzenesulfonamide
PubChem CID7522037
Molecular FormulaC18H17FN2O3S2
Molecular Weight392.48 g/mol
Exact Mass392.07
IUPAC NameN-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCc2csc(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C18H17FN2O3S2/c1-24-16-6-8-17(9-7-16)26(22,23)20-11-10-15-12-25-18(21-15)13-2-4-14(19)5-3-13/h2-9,12,20H,10-11H2,1H3
InChIKeyNPOGEDVVVQRKOV-UHFFFAOYSA-N
XLogP3.48
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]ethanesulfonamide
CID 7119083
N-(2-(2-(3,4-dimethoxyphenyl)thiazol-4-yl)ethyl)propane-1-sulfonamide
CID 7119084
4-[4-(3-Fluoro-4-methoxy-phenyl)-2-methyl-thiazol-5-yl]-benzenesulfonamide
CID 44271374
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 3236821
2,5-dimethoxy-N-((2-phenylthiazol-4-yl)methyl)benzenesulfonamide
CID 3244156
3-Fluoro-4-methoxy-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-YL)ethyl]benzene-1-sulfonamide
CID 7202333
3,4-Dimethoxy-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-YL)ethyl]benzene-1-sulfonamide
CID 7202338
3-Fluoro-N-{2-[2-(4-fluorophenyl)-1,3-thiazol-4-YL]ethyl}-4-methoxybenzene-1-sulfonamide
CID 7522047
3,4-dimethoxy-N-[[2-(4-methoxyphenyl)-4-thiazolyl]methyl]benzenesulfonamide
CID 9550483
N-(2-(2-(4-(trifluoromethyl)phenyl)thiazol-4-yl)ethyl)-2,3-dihydrobenzo[b][1,4]dioxine-6-sulfonamide
CID 9551573
4-Methoxy-N-{[2-(pyridin-3-YL)-1,3-thiazol-4-YL]methyl}benzene-1-sulfonamide
CID 9551583
4-Fluoro-N-{[2-(4-methoxyphenyl)-1,3-thiazol-4-YL]methyl}benzene-1-sulfonamide
CID 16012475

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-4-methoxybenzenesulfonamide (CID 7522037) is N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCCc2csc(-c3ccc(F)cc3)n2)cc1.
What is the InChIKey of N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-4-methoxybenzenesulfonamide?
The InChIKey is NPOGEDVVVQRKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3S2/c1-24-16-6-8-17(9-7-16)26(22,23)20-11-10-15-12-25-18(21-15)13-2-4-14(19)5-3-13/h2-9,12,20H,10-11H2,1H3.
What are the key properties of N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-4-methoxybenzenesulfonamide?
N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-4-methoxybenzenesulfonamide has a molecular weight of 392.48 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 7522037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).