5'-[(2,4-difluorophenyl)sulfonylamino]-2'-oxospiro[cyclopentane-1,3'-indole]-1'-carboxamide

C19H17F2N3O4S — CID 135123408

IUPAC5'-[(2,4-difluorophenyl)sulfonylamino]-2'-oxospiro[cyclopentane-1,3'-indole]-1'-carboxamide
SMILESNC(=O)N1C(=O)C2(CCCC2)c2cc(NS(=O)(=O)c3ccc(F)cc3F)ccc21
InChIInChI=1S/C19H17F2N3O4S/c20-11-3-6-16(14(21)9-11)29(27,28)23-12-4-5-15-13(10-12)19(7-1-2-8-19)17(25)24(15)18(22)26/h3-6,9-10,23H,1-2,7-8H2,(H2,22,26)
InChIKeyZGLYULJWBOZRBW-UHFFFAOYSA-N
MW421.43 g/mol
LogP3.00
Rot. Bonds3

About 5'-[(2,4-difluorophenyl)sulfonylamino]-2'-oxospiro[cyclopentane-1,3'-indole]-1'-carboxamide

5'-[(2,4-difluorophenyl)sulfonylamino]-2'-oxospiro[cyclopentane-1,3'-indole]-1'-carboxamide (PubChem CID 135123408) has the molecular formula C19H17F2N3O4S and a molecular weight of 421.43 g/mol. Its IUPAC name is 5'-[(2,4-difluorophenyl)sulfonylamino]-2'-oxospiro[cyclopentane-1,3'-indole]-1'-carboxamide.

Molecular Properties

Compound Name5'-[(2,4-difluorophenyl)sulfonylamino]-2'-oxospiro[cyclopentane-1,3'-indole]-1'-carboxamide
PubChem CID135123408
Molecular FormulaC19H17F2N3O4S
Molecular Weight421.43 g/mol
Exact Mass421.09
IUPAC Name5'-[(2,4-difluorophenyl)sulfonylamino]-2'-oxospiro[cyclopentane-1,3'-indole]-1'-carboxamide
SMILESNC(=O)N1C(=O)C2(CCCC2)c2cc(NS(=O)(=O)c3ccc(F)cc3F)ccc21
InChIInChI=1S/C19H17F2N3O4S/c20-11-3-6-16(14(21)9-11)29(27,28)23-12-4-5-15-13(10-12)19(7-1-2-8-19)17(25)24(15)18(22)26/h3-6,9-10,23H,1-2,7-8H2,(H2,22,26)
InChIKeyZGLYULJWBOZRBW-UHFFFAOYSA-N
XLogP3.00
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.43
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-difluoro-N-(3-methyl-4-pyrrolidin-1-ylphenyl)benzenesulfonamide
CID 78828374
2,4-difluoro-N-(7-methyl-2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl)benzenesulfonamide
CID 118169107
2,4-difluoro-N-[4-(methanesulfonamido)phenyl]benzenesulfonamide
CID 31073462
2,4-difluoro-N-(3,3,5-trimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)benzenesulfonamide
CID 40956101
N-[6-[(2,4-difluorophenyl)sulfonylamino]-2-oxospiro[3H-indene-1,1'-cyclobutane]-4-yl]-1-methylpiperidine-4-carboxamide
CID 162204239
N-[5-[(2,4-difluorophenyl)sulfonylamino]-2-fluorophenyl]acetamide
CID 134017686
5-[(2,4-difluorophenyl)sulfonylamino]-N-(oxan-4-yl)-2-oxospiro[1H-indole-3,1'-cyclobutane]-7-carboxamide
CID 135184800
2,4-difluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide
CID 50796931
N-(3-amino-4-ethylphenyl)-2,4-difluorobenzenesulfonamide
CID 43551083
methyl 7-[(2,4-difluorophenyl)sulfonylamino]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 121034958
N-(2,4-difluorophenyl)-2,4-difluorobenzenesulfonamide
CID 3312178
N-(3-acetylphenyl)-2,4-difluorobenzenesulfonamide
CID 3836234

Frequently Asked Questions

What is the IUPAC name of 5'-[(2,4-difluorophenyl)sulfonylamino]-2'-oxospiro[cyclopentane-1,3'-indole]-1'-carboxamide?
The IUPAC name of 5'-[(2,4-difluorophenyl)sulfonylamino]-2'-oxospiro[cyclopentane-1,3'-indole]-1'-carboxamide (CID 135123408) is 5'-[(2,4-difluorophenyl)sulfonylamino]-2'-oxospiro[cyclopentane-1,3'-indole]-1'-carboxamide.
What is the SMILES notation for 5'-[(2,4-difluorophenyl)sulfonylamino]-2'-oxospiro[cyclopentane-1,3'-indole]-1'-carboxamide?
The canonical SMILES for 5'-[(2,4-difluorophenyl)sulfonylamino]-2'-oxospiro[cyclopentane-1,3'-indole]-1'-carboxamide is NC(=O)N1C(=O)C2(CCCC2)c2cc(NS(=O)(=O)c3ccc(F)cc3F)ccc21.
What is the InChIKey of 5'-[(2,4-difluorophenyl)sulfonylamino]-2'-oxospiro[cyclopentane-1,3'-indole]-1'-carboxamide?
The InChIKey is ZGLYULJWBOZRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O4S/c20-11-3-6-16(14(21)9-11)29(27,28)23-12-4-5-15-13(10-12)19(7-1-2-8-19)17(25)24(15)18(22)26/h3-6,9-10,23H,1-2,7-8H2,(H2,22,26).
What are the key properties of 5'-[(2,4-difluorophenyl)sulfonylamino]-2'-oxospiro[cyclopentane-1,3'-indole]-1'-carboxamide?
5'-[(2,4-difluorophenyl)sulfonylamino]-2'-oxospiro[cyclopentane-1,3'-indole]-1'-carboxamide has a molecular weight of 421.43 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-[(2,4-difluorophenyl)sulfonylamino]-2'-oxospiro[cyclopentane-1,3'-indole]-1'-carboxamide is sourced from PubChem (CID 135123408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).