N-(3-methyloxetan-3-yl)-3-(5$#8243;-(methylsulfonamido)dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indoline]-1$#8243;-carbonyl)benzenesulfonamide

C27H33N3O6S2 — CID 167494174

IUPAC—
SMILESCC1(NS(=O)(=O)c2cccc(C(=O)N3CC4(CCC5(CC5)CC4)c4cc(NS(C)(=O)=O)ccc43)c2)COC1
InChIInChI=1S/C27H33N3O6S2/c1-25(17-36-18-25)29-38(34,35)21-5-3-4-19(14-21)24(31)30-16-27(12-10-26(8-9-26)11-13-27)22-15-20(6-7-23(22)30)28-37(2,32)33/h3-7,14-15,28-29H,8-13,16-18H2,1-2H3
InChIKeyFXDWGPMEZCMMFS-UHFFFAOYSA-N
MW559.71 g/mol
LogP3.38
Rot. Bonds6

About N-(3-methyloxetan-3-yl)-3-(5$#8243;-(methylsulfonamido)dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indoline]-1$#8243;-carbonyl)benzenesulfonamide

N-(3-methyloxetan-3-yl)-3-(5$#8243;-(methylsulfonamido)dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indoline]-1$#8243;-carbonyl)benzenesulfonamide (PubChem CID 167494174) has the molecular formula C27H33N3O6S2 and a molecular weight of 559.71 g/mol.

Molecular Properties

Compound NameN-(3-methyloxetan-3-yl)-3-(5$#8243;-(methylsulfonamido)dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indoline]-1$#8243;-carbonyl)benzenesulfonamide
PubChem CID167494174
Molecular FormulaC27H33N3O6S2
Molecular Weight559.71 g/mol
Exact Mass559.18
IUPAC Name—
SMILESCC1(NS(=O)(=O)c2cccc(C(=O)N3CC4(CCC5(CC5)CC4)c4cc(NS(C)(=O)=O)ccc43)c2)COC1
InChIInChI=1S/C27H33N3O6S2/c1-25(17-36-18-25)29-38(34,35)21-5-3-4-19(14-21)24(31)30-16-27(12-10-26(8-9-26)11-13-27)22-15-20(6-7-23(22)30)28-37(2,32)33/h3-7,14-15,28-29H,8-13,16-18H2,1-2H3
InChIKeyFXDWGPMEZCMMFS-UHFFFAOYSA-N
XLogP3.38
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500559.71
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(3-methyloxetan-3-yl)-3-(5$#8243;-(methylsulfonamido)dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indoline]-1$#8243;-carbonyl)benzenesulfonamide with MolForge

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Related Compounds

N-(1-methylcyclobutyl)-3-(5$#8243;-(methylsulfonamido)dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indoline]-1$#8243;-carbonyl)benzenesulfonamide
CID 168726719
CID 167493685
CID 167493685
CID 167493911
CID 167493911
CID 167493507
CID 167493507
CID 167493484
CID 167493484
CID 167493617
CID 167493617
N-(2,2-dimethyloxetan-3-yl)-3-[5-(methanesulfonamido)spiro[2H-indole-3,1'-cyclohexane]-1-carbonyl]benzenesulfonamide
CID 167493723
N-(2-allylcyclopropyl)-3-(5$#8243;-(methylsulfonamido)dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indoline]-1$#8243;-carbonyl)benzenesulfonamide
CID 167493689
N-tert-butyl-3-[5-(methanesulfonamido)spiro[2H-indole-3,4'-cyclopentene]-1-carbonyl]benzenesulfonamide
CID 168726745
N-cyclohex-2-en-1-yl-3-[5-(methanesulfonamido)spiro[2H-indole-3,1'-cyclohexane]-1-carbonyl]benzenesulfonamide
CID 167493680
3-[5-(methanesulfonamido)spiro[2H-indole-3,1'-cyclohexane]-1-carbonyl]-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 167493926
CID 167494190
CID 167494190

Frequently Asked Questions

What is the IUPAC name of N-(3-methyloxetan-3-yl)-3-(5$#8243;-(methylsulfonamido)dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indoline]-1$#8243;-carbonyl)benzenesulfonamide?
The IUPAC name of N-(3-methyloxetan-3-yl)-3-(5$#8243;-(methylsulfonamido)dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indoline]-1$#8243;-carbonyl)benzenesulfonamide (CID 167494174) is not available.
What is the SMILES notation for N-(3-methyloxetan-3-yl)-3-(5$#8243;-(methylsulfonamido)dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indoline]-1$#8243;-carbonyl)benzenesulfonamide?
The canonical SMILES for N-(3-methyloxetan-3-yl)-3-(5$#8243;-(methylsulfonamido)dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indoline]-1$#8243;-carbonyl)benzenesulfonamide is CC1(NS(=O)(=O)c2cccc(C(=O)N3CC4(CCC5(CC5)CC4)c4cc(NS(C)(=O)=O)ccc43)c2)COC1.
What is the InChIKey of N-(3-methyloxetan-3-yl)-3-(5$#8243;-(methylsulfonamido)dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indoline]-1$#8243;-carbonyl)benzenesulfonamide?
The InChIKey is FXDWGPMEZCMMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O6S2/c1-25(17-36-18-25)29-38(34,35)21-5-3-4-19(14-21)24(31)30-16-27(12-10-26(8-9-26)11-13-27)22-15-20(6-7-23(22)30)28-37(2,32)33/h3-7,14-15,28-29H,8-13,16-18H2,1-2H3.
What are the key properties of N-(3-methyloxetan-3-yl)-3-(5$#8243;-(methylsulfonamido)dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indoline]-1$#8243;-carbonyl)benzenesulfonamide?
N-(3-methyloxetan-3-yl)-3-(5$#8243;-(methylsulfonamido)dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indoline]-1$#8243;-carbonyl)benzenesulfonamide has a molecular weight of 559.71 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyloxetan-3-yl)-3-(5$#8243;-(methylsulfonamido)dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indoline]-1$#8243;-carbonyl)benzenesulfonamide is sourced from PubChem (CID 167494174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).