N-(tert-butyl)-5-(5$#8243;-(ethylsulfonamido)dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indoline]-1$#8243;-carbonyl)-2-fluorobenzenesulfonamide

C28H36FN3O5S2 — CID 167494045

IUPAC—
SMILESCCS(=O)(=O)Nc1ccc2c(c1)C1(CCC3(CC3)CC1)CN2C(=O)c1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1
InChIInChI=1S/C28H36FN3O5S2/c1-5-38(34,35)30-20-7-9-23-21(17-20)28(14-12-27(10-11-27)13-15-28)18-32(23)25(33)19-6-8-22(29)24(16-19)39(36,37)31-26(2,3)4/h6-9,16-17,30-31H,5,10-15,18H2,1-4H3
InChIKeyGGGIHPLOAGHYHG-UHFFFAOYSA-N
MW577.74 g/mol
LogP4.92
Rot. Bonds6

About N-(tert-butyl)-5-(5$#8243;-(ethylsulfonamido)dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indoline]-1$#8243;-carbonyl)-2-fluorobenzenesulfonamide

N-(tert-butyl)-5-(5$#8243;-(ethylsulfonamido)dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indoline]-1$#8243;-carbonyl)-2-fluorobenzenesulfonamide (PubChem CID 167494045) has the molecular formula C28H36FN3O5S2 and a molecular weight of 577.74 g/mol.

Molecular Properties

Compound NameN-(tert-butyl)-5-(5$#8243;-(ethylsulfonamido)dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indoline]-1$#8243;-carbonyl)-2-fluorobenzenesulfonamide
PubChem CID167494045
Molecular FormulaC28H36FN3O5S2
Molecular Weight577.74 g/mol
Exact Mass577.21
IUPAC Name—
SMILESCCS(=O)(=O)Nc1ccc2c(c1)C1(CCC3(CC3)CC1)CN2C(=O)c1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1
InChIInChI=1S/C28H36FN3O5S2/c1-5-38(34,35)30-20-7-9-23-21(17-20)28(14-12-27(10-11-27)13-15-28)18-32(23)25(33)19-6-8-22(29)24(16-19)39(36,37)31-26(2,3)4/h6-9,16-17,30-31H,5,10-15,18H2,1-4H3
InChIKeyGGGIHPLOAGHYHG-UHFFFAOYSA-N
XLogP4.92
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500577.74
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(tert-butyl)-5-(5$#8243;-(ethylsulfonamido)dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indoline]-1$#8243;-carbonyl)-2-fluorobenzenesulfonamide with MolForge

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Related Compounds

N-(tert-butyl)-2-methoxy-5-(5$#8243;-(methylsulfonamido)dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indoline]-1$#8243;-carbonyl)benzenesulfonamide
CID 167493854
CID 167493945
CID 167493945
CID 167493625
CID 167493625
CID 167493686
CID 167493686
N-tert-butyl-3-[5-(methanesulfonamido)spiro[2H-indole-3,4'-cyclopentene]-1-carbonyl]benzenesulfonamide
CID 168726745
N-tert-butyl-4-[5-(methanesulfonamido)spiro[2H-indole-3,1'-cyclohexane]-1-carbonyl]thiophene-2-sulfonamide
CID 167493772
CID 167493685
CID 167493685
N-(1-methylcyclobutyl)-3-(5$#8243;-(methylsulfonamido)dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indoline]-1$#8243;-carbonyl)benzenesulfonamide
CID 168726719
N-(3-methyloxetan-3-yl)-3-(5$#8243;-(methylsulfonamido)dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indoline]-1$#8243;-carbonyl)benzenesulfonamide
CID 167494174
CID 167493911
CID 167493911
CID 167493724
CID 167493724
CID 167494190
CID 167494190

Frequently Asked Questions

What is the IUPAC name of N-(tert-butyl)-5-(5$#8243;-(ethylsulfonamido)dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indoline]-1$#8243;-carbonyl)-2-fluorobenzenesulfonamide?
The IUPAC name of N-(tert-butyl)-5-(5$#8243;-(ethylsulfonamido)dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indoline]-1$#8243;-carbonyl)-2-fluorobenzenesulfonamide (CID 167494045) is not available.
What is the SMILES notation for N-(tert-butyl)-5-(5$#8243;-(ethylsulfonamido)dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indoline]-1$#8243;-carbonyl)-2-fluorobenzenesulfonamide?
The canonical SMILES for N-(tert-butyl)-5-(5$#8243;-(ethylsulfonamido)dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indoline]-1$#8243;-carbonyl)-2-fluorobenzenesulfonamide is CCS(=O)(=O)Nc1ccc2c(c1)C1(CCC3(CC3)CC1)CN2C(=O)c1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1.
What is the InChIKey of N-(tert-butyl)-5-(5$#8243;-(ethylsulfonamido)dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indoline]-1$#8243;-carbonyl)-2-fluorobenzenesulfonamide?
The InChIKey is GGGIHPLOAGHYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36FN3O5S2/c1-5-38(34,35)30-20-7-9-23-21(17-20)28(14-12-27(10-11-27)13-15-28)18-32(23)25(33)19-6-8-22(29)24(16-19)39(36,37)31-26(2,3)4/h6-9,16-17,30-31H,5,10-15,18H2,1-4H3.
What are the key properties of N-(tert-butyl)-5-(5$#8243;-(ethylsulfonamido)dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indoline]-1$#8243;-carbonyl)-2-fluorobenzenesulfonamide?
N-(tert-butyl)-5-(5$#8243;-(ethylsulfonamido)dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indoline]-1$#8243;-carbonyl)-2-fluorobenzenesulfonamide has a molecular weight of 577.74 g/mol, XLogP of 4.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(tert-butyl)-5-(5$#8243;-(ethylsulfonamido)dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indoline]-1$#8243;-carbonyl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 167494045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).