N-(3,4-difluorophenyl)-5-(3-hydroxyazetidin-1-yl)sulfonyl-1H-indole-7-carboxamide

C18H15F2N3O4S — CID 121385137

IUPACN-(3,4-difluorophenyl)-5-(3-hydroxyazetidin-1-yl)sulfonyl-1H-indole-7-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1cc(S(=O)(=O)N2CC(O)C2)cc2cc[nH]c12
InChIInChI=1S/C18H15F2N3O4S/c19-15-2-1-11(6-16(15)20)22-18(25)14-7-13(5-10-3-4-21-17(10)14)28(26,27)23-8-12(24)9-23/h1-7,12,21,24H,8-9H2,(H,22,25)
InChIKeyYBWZEJXUWRUXIX-UHFFFAOYSA-N
MW407.40 g/mol
LogP2.06
Rot. Bonds4

About N-(3,4-difluorophenyl)-5-(3-hydroxyazetidin-1-yl)sulfonyl-1H-indole-7-carboxamide

N-(3,4-difluorophenyl)-5-(3-hydroxyazetidin-1-yl)sulfonyl-1H-indole-7-carboxamide (PubChem CID 121385137) has the molecular formula C18H15F2N3O4S and a molecular weight of 407.40 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-5-(3-hydroxyazetidin-1-yl)sulfonyl-1H-indole-7-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-5-(3-hydroxyazetidin-1-yl)sulfonyl-1H-indole-7-carboxamide
PubChem CID121385137
Molecular FormulaC18H15F2N3O4S
Molecular Weight407.40 g/mol
Exact Mass407.08
IUPAC NameN-(3,4-difluorophenyl)-5-(3-hydroxyazetidin-1-yl)sulfonyl-1H-indole-7-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1cc(S(=O)(=O)N2CC(O)C2)cc2cc[nH]c12
InChIInChI=1S/C18H15F2N3O4S/c19-15-2-1-11(6-16(15)20)22-18(25)14-7-13(5-10-3-4-21-17(10)14)28(26,27)23-8-12(24)9-23/h1-7,12,21,24H,8-9H2,(H,22,25)
InChIKeyYBWZEJXUWRUXIX-UHFFFAOYSA-N
XLogP2.06
TPSA102.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.40
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-difluorophenyl)-3-(3,6-dihydroxyazepan-1-yl)sulfonyl-4-fluorobenzamide
CID 123196073
2-bromo-N-(3,4-difluorophenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26694497
N-(3,4-difluorophenyl)-1H-indole-5-carboxamide
CID 63718780
N-(3-chloro-4-fluorophenyl)-6-(3-fluoro-4-hydroxypyrrolidin-1-yl)sulfonyl-1H-indene-4-carboxamide
CID 118180519
N-(3,4-dimethylphenyl)-5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-fluorobenzamide
CID 7032363
N-(3,4-difluorophenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-2-fluorobenzamide
CID 4115341
N-(3,4-difluorophenyl)-7-(3-fluoro-4-hydroxypiperidin-1-yl)sulfonyl-3H-benzimidazole-5-carboxamide;N-(3,4-difluorophenyl)-7-(3-fluoro-4-hydroxypyrrolidin-1-yl)sulfonyl-3H-benzimidazole-5-carboxamide;N-(3,4-difluorophenyl)-7-(3-hydroxyazetidin-1-yl)sulfonyl-3H-benzimidazole-5-carboxamide
CID 161226301
N-(3,4-difluorophenyl)-3-[(6-hydroxy-2-methyl-1,4-oxazepan-4-yl)sulfonyl]-4-methoxybenzamide
CID 118230129
2-fluoro-N-(3-fluoro-4-methylphenyl)-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 3673075
1-(4-fluorophenyl)sulfonylazetidin-3-ol
CID 63106433
N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-2,5-difluorobenzamide
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N-(3,4-difluorophenyl)-2-methyl-5-methylsulfonylbenzamide
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Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-5-(3-hydroxyazetidin-1-yl)sulfonyl-1H-indole-7-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-5-(3-hydroxyazetidin-1-yl)sulfonyl-1H-indole-7-carboxamide (CID 121385137) is N-(3,4-difluorophenyl)-5-(3-hydroxyazetidin-1-yl)sulfonyl-1H-indole-7-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-5-(3-hydroxyazetidin-1-yl)sulfonyl-1H-indole-7-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-5-(3-hydroxyazetidin-1-yl)sulfonyl-1H-indole-7-carboxamide is O=C(Nc1ccc(F)c(F)c1)c1cc(S(=O)(=O)N2CC(O)C2)cc2cc[nH]c12.
What is the InChIKey of N-(3,4-difluorophenyl)-5-(3-hydroxyazetidin-1-yl)sulfonyl-1H-indole-7-carboxamide?
The InChIKey is YBWZEJXUWRUXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O4S/c19-15-2-1-11(6-16(15)20)22-18(25)14-7-13(5-10-3-4-21-17(10)14)28(26,27)23-8-12(24)9-23/h1-7,12,21,24H,8-9H2,(H,22,25).
What are the key properties of N-(3,4-difluorophenyl)-5-(3-hydroxyazetidin-1-yl)sulfonyl-1H-indole-7-carboxamide?
N-(3,4-difluorophenyl)-5-(3-hydroxyazetidin-1-yl)sulfonyl-1H-indole-7-carboxamide has a molecular weight of 407.40 g/mol, XLogP of 2.06, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-5-(3-hydroxyazetidin-1-yl)sulfonyl-1H-indole-7-carboxamide is sourced from PubChem (CID 121385137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).