N-[(2,4-difluorophenyl)methyl]-N,1-dimethyl-2-oxo-3-(1,3-thiazol-2-ylmethyl)-3H-indole-5-sulfonamide

C21H19F2N3O3S2 — CID 162524903

IUPACN-[(2,4-difluorophenyl)methyl]-N,1-dimethyl-2-oxo-3-(1,3-thiazol-2-ylmethyl)-3H-indole-5-sulfonamide
SMILESCN1C(=O)C(Cc2nccs2)c2cc(S(=O)(=O)N(C)Cc3ccc(F)cc3F)ccc21
InChIInChI=1S/C21H19F2N3O3S2/c1-25(12-13-3-4-14(22)9-18(13)23)31(28,29)15-5-6-19-16(10-15)17(21(27)26(19)2)11-20-24-7-8-30-20/h3-10,17H,11-12H2,1-2H3
InChIKeyBKPHZTSWWPUOSA-UHFFFAOYSA-N
MW463.53 g/mol
LogP3.54
Rot. Bonds6

About N-[(2,4-difluorophenyl)methyl]-N,1-dimethyl-2-oxo-3-(1,3-thiazol-2-ylmethyl)-3H-indole-5-sulfonamide

N-[(2,4-difluorophenyl)methyl]-N,1-dimethyl-2-oxo-3-(1,3-thiazol-2-ylmethyl)-3H-indole-5-sulfonamide (PubChem CID 162524903) has the molecular formula C21H19F2N3O3S2 and a molecular weight of 463.53 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-N,1-dimethyl-2-oxo-3-(1,3-thiazol-2-ylmethyl)-3H-indole-5-sulfonamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-N,1-dimethyl-2-oxo-3-(1,3-thiazol-2-ylmethyl)-3H-indole-5-sulfonamide
PubChem CID162524903
Molecular FormulaC21H19F2N3O3S2
Molecular Weight463.53 g/mol
Exact Mass463.08
IUPAC NameN-[(2,4-difluorophenyl)methyl]-N,1-dimethyl-2-oxo-3-(1,3-thiazol-2-ylmethyl)-3H-indole-5-sulfonamide
SMILESCN1C(=O)C(Cc2nccs2)c2cc(S(=O)(=O)N(C)Cc3ccc(F)cc3F)ccc21
InChIInChI=1S/C21H19F2N3O3S2/c1-25(12-13-3-4-14(22)9-18(13)23)31(28,29)15-5-6-19-16(10-15)17(21(27)26(19)2)11-20-24-7-8-30-20/h3-10,17H,11-12H2,1-2H3
InChIKeyBKPHZTSWWPUOSA-UHFFFAOYSA-N
XLogP3.54
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.53
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-N,1-dimethyl-2-oxo-3-(1,3-thiazol-2-ylmethyl)-3H-indole-5-sulfonamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-N,1-dimethyl-2-oxo-3-(1,3-thiazol-2-ylmethyl)-3H-indole-5-sulfonamide (CID 162524903) is N-[(2,4-difluorophenyl)methyl]-N,1-dimethyl-2-oxo-3-(1,3-thiazol-2-ylmethyl)-3H-indole-5-sulfonamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-N,1-dimethyl-2-oxo-3-(1,3-thiazol-2-ylmethyl)-3H-indole-5-sulfonamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-N,1-dimethyl-2-oxo-3-(1,3-thiazol-2-ylmethyl)-3H-indole-5-sulfonamide is CN1C(=O)C(Cc2nccs2)c2cc(S(=O)(=O)N(C)Cc3ccc(F)cc3F)ccc21.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-N,1-dimethyl-2-oxo-3-(1,3-thiazol-2-ylmethyl)-3H-indole-5-sulfonamide?
The InChIKey is BKPHZTSWWPUOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N3O3S2/c1-25(12-13-3-4-14(22)9-18(13)23)31(28,29)15-5-6-19-16(10-15)17(21(27)26(19)2)11-20-24-7-8-30-20/h3-10,17H,11-12H2,1-2H3.
What are the key properties of N-[(2,4-difluorophenyl)methyl]-N,1-dimethyl-2-oxo-3-(1,3-thiazol-2-ylmethyl)-3H-indole-5-sulfonamide?
N-[(2,4-difluorophenyl)methyl]-N,1-dimethyl-2-oxo-3-(1,3-thiazol-2-ylmethyl)-3H-indole-5-sulfonamide has a molecular weight of 463.53 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-N,1-dimethyl-2-oxo-3-(1,3-thiazol-2-ylmethyl)-3H-indole-5-sulfonamide is sourced from PubChem (CID 162524903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).