2-(4-spiro[2H-indole-3,1'-cyclopropane]-1-ylsulfonylphenyl)acetic acid

C18H17NO4S — CID 91643973

IUPAC2-(4-spiro[2H-indole-3,1'-cyclopropane]-1-ylsulfonylphenyl)acetic acid
SMILESO=C(O)Cc1ccc(S(=O)(=O)N2CC3(CC3)c3ccccc32)cc1
InChIInChI=1S/C18H17NO4S/c20-17(21)11-13-5-7-14(8-6-13)24(22,23)19-12-18(9-10-18)15-3-1-2-4-16(15)19/h1-8H,9-12H2,(H,20,21)
InChIKeyYJFGDBJGWAUHPO-UHFFFAOYSA-N
MW343.40 g/mol
LogP2.55
Rot. Bonds4

About 2-(4-spiro[2H-indole-3,1'-cyclopropane]-1-ylsulfonylphenyl)acetic acid

2-(4-spiro[2H-indole-3,1'-cyclopropane]-1-ylsulfonylphenyl)acetic acid (PubChem CID 91643973) has the molecular formula C18H17NO4S and a molecular weight of 343.40 g/mol. Its IUPAC name is 2-(4-spiro[2H-indole-3,1'-cyclopropane]-1-ylsulfonylphenyl)acetic acid.

Molecular Properties

Compound Name2-(4-spiro[2H-indole-3,1'-cyclopropane]-1-ylsulfonylphenyl)acetic acid
PubChem CID91643973
Molecular FormulaC18H17NO4S
Molecular Weight343.40 g/mol
Exact Mass343.09
IUPAC Name2-(4-spiro[2H-indole-3,1'-cyclopropane]-1-ylsulfonylphenyl)acetic acid
SMILESO=C(O)Cc1ccc(S(=O)(=O)N2CC3(CC3)c3ccccc32)cc1
InChIInChI=1S/C18H17NO4S/c20-17(21)11-13-5-7-14(8-6-13)24(22,23)19-12-18(9-10-18)15-3-1-2-4-16(15)19/h1-8H,9-12H2,(H,20,21)
InChIKeyYJFGDBJGWAUHPO-UHFFFAOYSA-N
XLogP2.55
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-spiro[2H-indole-3,1'-cyclopropane]-1-ylsulfonylphenyl)acetic acid?
The IUPAC name of 2-(4-spiro[2H-indole-3,1'-cyclopropane]-1-ylsulfonylphenyl)acetic acid (CID 91643973) is 2-(4-spiro[2H-indole-3,1'-cyclopropane]-1-ylsulfonylphenyl)acetic acid.
What is the SMILES notation for 2-(4-spiro[2H-indole-3,1'-cyclopropane]-1-ylsulfonylphenyl)acetic acid?
The canonical SMILES for 2-(4-spiro[2H-indole-3,1'-cyclopropane]-1-ylsulfonylphenyl)acetic acid is O=C(O)Cc1ccc(S(=O)(=O)N2CC3(CC3)c3ccccc32)cc1.
What is the InChIKey of 2-(4-spiro[2H-indole-3,1'-cyclopropane]-1-ylsulfonylphenyl)acetic acid?
The InChIKey is YJFGDBJGWAUHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4S/c20-17(21)11-13-5-7-14(8-6-13)24(22,23)19-12-18(9-10-18)15-3-1-2-4-16(15)19/h1-8H,9-12H2,(H,20,21).
What are the key properties of 2-(4-spiro[2H-indole-3,1'-cyclopropane]-1-ylsulfonylphenyl)acetic acid?
2-(4-spiro[2H-indole-3,1'-cyclopropane]-1-ylsulfonylphenyl)acetic acid has a molecular weight of 343.40 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-spiro[2H-indole-3,1'-cyclopropane]-1-ylsulfonylphenyl)acetic acid is sourced from PubChem (CID 91643973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).