N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-methyl-2-oxo-3H-indole-5-sulfonamide

C18H14FN3O3S2 — CID 112807792

IUPACN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
SMILESCN1C(=O)Cc2cc(S(=O)(=O)Nc3nc(-c4ccc(F)cc4)cs3)ccc21
InChIInChI=1S/C18H14FN3O3S2/c1-22-16-7-6-14(8-12(16)9-17(22)23)27(24,25)21-18-20-15(10-26-18)11-2-4-13(19)5-3-11/h2-8,10H,9H2,1H3,(H,20,21)
InChIKeyRBQIZWKCMIFCGZ-UHFFFAOYSA-N
MW403.46 g/mol
LogP3.27
Rot. Bonds4

About N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-methyl-2-oxo-3H-indole-5-sulfonamide

N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-methyl-2-oxo-3H-indole-5-sulfonamide (PubChem CID 112807792) has the molecular formula C18H14FN3O3S2 and a molecular weight of 403.46 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-methyl-2-oxo-3H-indole-5-sulfonamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
PubChem CID112807792
Molecular FormulaC18H14FN3O3S2
Molecular Weight403.46 g/mol
Exact Mass403.05
IUPAC NameN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
SMILESCN1C(=O)Cc2cc(S(=O)(=O)Nc3nc(-c4ccc(F)cc4)cs3)ccc21
InChIInChI=1S/C18H14FN3O3S2/c1-22-16-7-6-14(8-12(16)9-17(22)23)27(24,25)21-18-20-15(10-26-18)11-2-4-13(19)5-3-11/h2-8,10H,9H2,1H3,(H,20,21)
InChIKeyRBQIZWKCMIFCGZ-UHFFFAOYSA-N
XLogP3.27
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_F(1)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-methyl-2-oxo-3H-indole-5-sulfonamide?
The IUPAC name of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-methyl-2-oxo-3H-indole-5-sulfonamide (CID 112807792) is N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-methyl-2-oxo-3H-indole-5-sulfonamide.
What is the SMILES notation for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-methyl-2-oxo-3H-indole-5-sulfonamide?
The canonical SMILES for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-methyl-2-oxo-3H-indole-5-sulfonamide is CN1C(=O)Cc2cc(S(=O)(=O)Nc3nc(-c4ccc(F)cc4)cs3)ccc21.
What is the InChIKey of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-methyl-2-oxo-3H-indole-5-sulfonamide?
The InChIKey is RBQIZWKCMIFCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O3S2/c1-22-16-7-6-14(8-12(16)9-17(22)23)27(24,25)21-18-20-15(10-26-18)11-2-4-13(19)5-3-11/h2-8,10H,9H2,1H3,(H,20,21).
What are the key properties of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-methyl-2-oxo-3H-indole-5-sulfonamide?
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-methyl-2-oxo-3H-indole-5-sulfonamide has a molecular weight of 403.46 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-methyl-2-oxo-3H-indole-5-sulfonamide is sourced from PubChem (CID 112807792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).