2-chloro-4-fluoro-N-[7-(1-methylpiperidin-4-yl)oxy-2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl]benzenesulfonamide

C23H25ClFN3O4S — CID 135184782

IUPAC2-chloro-4-fluoro-N-[7-(1-methylpiperidin-4-yl)oxy-2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl]benzenesulfonamide
SMILESCN1CCC(Oc2cc(NS(=O)(=O)c3ccc(F)cc3Cl)cc3c2NC(=O)C32CCC2)CC1
InChIInChI=1S/C23H25ClFN3O4S/c1-28-9-5-16(6-10-28)32-19-13-15(12-17-21(19)26-22(29)23(17)7-2-8-23)27-33(30,31)20-4-3-14(25)11-18(20)24/h3-4,11-13,16,27H,2,5-10H2,1H3,(H,26,29)
InChIKeyNPWLLPLGNGANQA-UHFFFAOYSA-N
MW493.99 g/mol
LogP4.13
Rot. Bonds5

About 2-chloro-4-fluoro-N-[7-(1-methylpiperidin-4-yl)oxy-2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl]benzenesulfonamide

2-chloro-4-fluoro-N-[7-(1-methylpiperidin-4-yl)oxy-2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl]benzenesulfonamide (PubChem CID 135184782) has the molecular formula C23H25ClFN3O4S and a molecular weight of 493.99 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-[7-(1-methylpiperidin-4-yl)oxy-2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-[7-(1-methylpiperidin-4-yl)oxy-2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl]benzenesulfonamide
PubChem CID135184782
Molecular FormulaC23H25ClFN3O4S
Molecular Weight493.99 g/mol
Exact Mass493.12
IUPAC Name2-chloro-4-fluoro-N-[7-(1-methylpiperidin-4-yl)oxy-2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl]benzenesulfonamide
SMILESCN1CCC(Oc2cc(NS(=O)(=O)c3ccc(F)cc3Cl)cc3c2NC(=O)C32CCC2)CC1
InChIInChI=1S/C23H25ClFN3O4S/c1-28-9-5-16(6-10-28)32-19-13-15(12-17-21(19)26-22(29)23(17)7-2-8-23)27-33(30,31)20-4-3-14(25)11-18(20)24/h3-4,11-13,16,27H,2,5-10H2,1H3,(H,26,29)
InChIKeyNPWLLPLGNGANQA-UHFFFAOYSA-N
XLogP4.13
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.99
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[7-(1-methylpiperidin-4-yl)oxy-2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl]-2-propan-2-yloxybenzenesulfonamide
CID 135123457
4-fluoro-N-(7-methoxy-2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)-2-[(2-methyl-2-azaspiro[3.3]heptan-6-yl)oxy]benzenesulfonamide
CID 135124333
2-methoxy-N-[7-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl]benzenesulfonamide
CID 135136273
2,4-difluoro-N-(7-methyl-2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl)benzenesulfonamide
CID 118169107
ethane;7-(1-ethylpiperidin-4-yl)oxy-5-(methylamino)spiro[1H-indole-3,1'-cyclobutane]-2-one
CID 145209352
2-methoxy-N-[7-(1-methylazepan-4-yl)oxy-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl]benzenesulfonamide
CID 148996778
5-[(2,4-difluorophenyl)sulfonylamino]-N-(oxan-4-yl)-2-oxospiro[1H-indole-3,1'-cyclobutane]-7-carboxamide
CID 135184800
N-[6-[(2,4-difluorophenyl)sulfonylamino]-2-oxospiro[3H-indene-1,1'-cyclobutane]-4-yl]-1-methylpiperidine-4-carboxamide
CID 162204239
2-methoxy-N-(2-oxo-7-piperidin-4-yloxyspiro[1H-indene-3,1'-cyclobutane]-5-yl)benzenesulfonamide
CID 147851269
2,5-difluoro-N-[3-[(3R)-1-methylpyrrolidin-3-yl]oxy-4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 67556030
2-chloro-4-(3,4-dichlorophenyl)sulfanyl-N-[3-[(3R)-1-methylpyrrolidin-3-yl]oxy-4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 10008900
2-chloro-4-fluoro-N-[2-methoxy-5-[3-(1-methylpyrrolidin-3-yl)oxy-4-oxopyrido[1,2-a]pyrimidin-7-yl]-3-pyridinyl]benzenesulfonamide
CID 118613304

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-[7-(1-methylpiperidin-4-yl)oxy-2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl]benzenesulfonamide?
The IUPAC name of 2-chloro-4-fluoro-N-[7-(1-methylpiperidin-4-yl)oxy-2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl]benzenesulfonamide (CID 135184782) is 2-chloro-4-fluoro-N-[7-(1-methylpiperidin-4-yl)oxy-2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-[7-(1-methylpiperidin-4-yl)oxy-2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl]benzenesulfonamide?
The canonical SMILES for 2-chloro-4-fluoro-N-[7-(1-methylpiperidin-4-yl)oxy-2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl]benzenesulfonamide is CN1CCC(Oc2cc(NS(=O)(=O)c3ccc(F)cc3Cl)cc3c2NC(=O)C32CCC2)CC1.
What is the InChIKey of 2-chloro-4-fluoro-N-[7-(1-methylpiperidin-4-yl)oxy-2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl]benzenesulfonamide?
The InChIKey is NPWLLPLGNGANQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClFN3O4S/c1-28-9-5-16(6-10-28)32-19-13-15(12-17-21(19)26-22(29)23(17)7-2-8-23)27-33(30,31)20-4-3-14(25)11-18(20)24/h3-4,11-13,16,27H,2,5-10H2,1H3,(H,26,29).
What are the key properties of 2-chloro-4-fluoro-N-[7-(1-methylpiperidin-4-yl)oxy-2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl]benzenesulfonamide?
2-chloro-4-fluoro-N-[7-(1-methylpiperidin-4-yl)oxy-2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl]benzenesulfonamide has a molecular weight of 493.99 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-[7-(1-methylpiperidin-4-yl)oxy-2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl]benzenesulfonamide is sourced from PubChem (CID 135184782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).