2,4-dimethyl-N-(2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)benzenesulfonamide

C20H22N2O3S — CID 110405656

IUPAC2,4-dimethyl-N-(2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3c(c2)C2(CCCC2)C(=O)N3)c(C)c1
InChIInChI=1S/C20H22N2O3S/c1-13-5-8-18(14(2)11-13)26(24,25)22-15-6-7-17-16(12-15)20(19(23)21-17)9-3-4-10-20/h5-8,11-12,22H,3-4,9-10H2,1-2H3,(H,21,23)
InChIKeyYQYNZHYTXNLDJR-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.87
Rot. Bonds3

About 2,4-dimethyl-N-(2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)benzenesulfonamide

2,4-dimethyl-N-(2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)benzenesulfonamide (PubChem CID 110405656) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is 2,4-dimethyl-N-(2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dimethyl-N-(2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)benzenesulfonamide
PubChem CID110405656
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC Name2,4-dimethyl-N-(2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3c(c2)C2(CCCC2)C(=O)N3)c(C)c1
InChIInChI=1S/C20H22N2O3S/c1-13-5-8-18(14(2)11-13)26(24,25)22-15-6-7-17-16(12-15)20(19(23)21-17)9-3-4-10-20/h5-8,11-12,22H,3-4,9-10H2,1-2H3,(H,21,23)
InChIKeyYQYNZHYTXNLDJR-UHFFFAOYSA-N
XLogP3.87
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-(2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)benzenesulfonamide?
The IUPAC name of 2,4-dimethyl-N-(2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)benzenesulfonamide (CID 110405656) is 2,4-dimethyl-N-(2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)benzenesulfonamide.
What is the SMILES notation for 2,4-dimethyl-N-(2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)benzenesulfonamide?
The canonical SMILES for 2,4-dimethyl-N-(2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C2(CCCC2)C(=O)N3)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-(2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)benzenesulfonamide?
The InChIKey is YQYNZHYTXNLDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-13-5-8-18(14(2)11-13)26(24,25)22-15-6-7-17-16(12-15)20(19(23)21-17)9-3-4-10-20/h5-8,11-12,22H,3-4,9-10H2,1-2H3,(H,21,23).
What are the key properties of 2,4-dimethyl-N-(2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)benzenesulfonamide?
2,4-dimethyl-N-(2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)benzenesulfonamide has a molecular weight of 370.47 g/mol, XLogP of 3.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-(2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)benzenesulfonamide is sourced from PubChem (CID 110405656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).