N-(2-allylcyclopropyl)-3-(5$#8243;-(methylsulfonamido)dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indoline]-1$#8243;-carbonyl)benzenesulfonamide

C29H35N3O5S2 — CID 167493689

IUPAC—
SMILESC=CCC1CC1NS(=O)(=O)c1cccc(C(=O)N2CC3(CCC4(CC4)CC3)c3cc(NS(C)(=O)=O)ccc32)c1
InChIInChI=1S/C29H35N3O5S2/c1-3-5-20-17-25(20)31-39(36,37)23-7-4-6-21(16-23)27(33)32-19-29(14-12-28(10-11-28)13-15-29)24-18-22(8-9-26(24)32)30-38(2,34)35/h3-4,6-9,16,18,20,25,30-31H,1,5,10-15,17,19H2,2H3
InChIKeyOEABVHQUQVJMRY-UHFFFAOYSA-N
MW569.75 g/mol
LogP4.55
Rot. Bonds8

About N-(2-allylcyclopropyl)-3-(5$#8243;-(methylsulfonamido)dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indoline]-1$#8243;-carbonyl)benzenesulfonamide

N-(2-allylcyclopropyl)-3-(5$#8243;-(methylsulfonamido)dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indoline]-1$#8243;-carbonyl)benzenesulfonamide (PubChem CID 167493689) has the molecular formula C29H35N3O5S2 and a molecular weight of 569.75 g/mol.

Molecular Properties

Compound NameN-(2-allylcyclopropyl)-3-(5$#8243;-(methylsulfonamido)dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indoline]-1$#8243;-carbonyl)benzenesulfonamide
PubChem CID167493689
Molecular FormulaC29H35N3O5S2
Molecular Weight569.75 g/mol
Exact Mass569.20
IUPAC Name—
SMILESC=CCC1CC1NS(=O)(=O)c1cccc(C(=O)N2CC3(CCC4(CC4)CC3)c3cc(NS(C)(=O)=O)ccc32)c1
InChIInChI=1S/C29H35N3O5S2/c1-3-5-20-17-25(20)31-39(36,37)23-7-4-6-21(16-23)27(33)32-19-29(14-12-28(10-11-28)13-15-29)24-18-22(8-9-26(24)32)30-38(2,34)35/h3-4,6-9,16,18,20,25,30-31H,1,5,10-15,17,19H2,2H3
InChIKeyOEABVHQUQVJMRY-UHFFFAOYSA-N
XLogP4.55
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500569.75
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-(2-allylcyclopropyl)-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

CID 167493617
CID 167493617
CID 167493685
CID 167493685
CID 167493911
CID 167493911
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 167493507
CID 167493507
CID 167494190
CID 167494190
N-(2,2-dimethyloxetan-3-yl)-3-[5-(methanesulfonamido)spiro[2H-indole-3,1'-cyclohexane]-1-carbonyl]benzenesulfonamide
CID 167493723
CID 167493484
CID 167493484
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 167493724
CID 167493724

Frequently Asked Questions

What is the IUPAC name of N-(2-allylcyclopropyl)-3-(5$#8243;-(methylsulfonamido)dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indoline]-1$#8243;-carbonyl)benzenesulfonamide?
The IUPAC name of N-(2-allylcyclopropyl)-3-(5$#8243;-(methylsulfonamido)dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indoline]-1$#8243;-carbonyl)benzenesulfonamide (CID 167493689) is not available.
What is the SMILES notation for N-(2-allylcyclopropyl)-3-(5$#8243;-(methylsulfonamido)dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indoline]-1$#8243;-carbonyl)benzenesulfonamide?
The canonical SMILES for N-(2-allylcyclopropyl)-3-(5$#8243;-(methylsulfonamido)dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indoline]-1$#8243;-carbonyl)benzenesulfonamide is C=CCC1CC1NS(=O)(=O)c1cccc(C(=O)N2CC3(CCC4(CC4)CC3)c3cc(NS(C)(=O)=O)ccc32)c1.
What is the InChIKey of N-(2-allylcyclopropyl)-3-(5$#8243;-(methylsulfonamido)dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indoline]-1$#8243;-carbonyl)benzenesulfonamide?
The InChIKey is OEABVHQUQVJMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N3O5S2/c1-3-5-20-17-25(20)31-39(36,37)23-7-4-6-21(16-23)27(33)32-19-29(14-12-28(10-11-28)13-15-29)24-18-22(8-9-26(24)32)30-38(2,34)35/h3-4,6-9,16,18,20,25,30-31H,1,5,10-15,17,19H2,2H3.
What are the key properties of N-(2-allylcyclopropyl)-3-(5$#8243;-(methylsulfonamido)dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indoline]-1$#8243;-carbonyl)benzenesulfonamide?
N-(2-allylcyclopropyl)-3-(5$#8243;-(methylsulfonamido)dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indoline]-1$#8243;-carbonyl)benzenesulfonamide has a molecular weight of 569.75 g/mol, XLogP of 4.55, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-allylcyclopropyl)-3-(5$#8243;-(methylsulfonamido)dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indoline]-1$#8243;-carbonyl)benzenesulfonamide is sourced from PubChem (CID 167493689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).