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

C28H35N3O5S2 — CID 168726719

IUPAC—
SMILESCC1(NS(=O)(=O)c2cccc(C(=O)N3CC4(CCC5(CC5)CC4)c4cc(NS(C)(=O)=O)ccc43)c2)CCC1
InChIInChI=1S/C28H35N3O5S2/c1-26(9-4-10-26)30-38(35,36)22-6-3-5-20(17-22)25(32)31-19-28(15-13-27(11-12-27)14-16-28)23-18-21(7-8-24(23)31)29-37(2,33)34/h3,5-8,17-18,29-30H,4,9-16,19H2,1-2H3
InChIKeyBSOKOSGRLJVGLG-UHFFFAOYSA-N
MW557.74 g/mol
LogP4.53
Rot. Bonds6

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

N-(1-methylcyclobutyl)-3-(5$#8243;-(methylsulfonamido)dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indoline]-1$#8243;-carbonyl)benzenesulfonamide (PubChem CID 168726719) has the molecular formula C28H35N3O5S2 and a molecular weight of 557.74 g/mol.

Molecular Properties

Compound NameN-(1-methylcyclobutyl)-3-(5$#8243;-(methylsulfonamido)dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indoline]-1$#8243;-carbonyl)benzenesulfonamide
PubChem CID168726719
Molecular FormulaC28H35N3O5S2
Molecular Weight557.74 g/mol
Exact Mass557.20
IUPAC Name—
SMILESCC1(NS(=O)(=O)c2cccc(C(=O)N3CC4(CCC5(CC5)CC4)c4cc(NS(C)(=O)=O)ccc43)c2)CCC1
InChIInChI=1S/C28H35N3O5S2/c1-26(9-4-10-26)30-38(35,36)22-6-3-5-20(17-22)25(32)31-19-28(15-13-27(11-12-27)14-16-28)23-18-21(7-8-24(23)31)29-37(2,33)34/h3,5-8,17-18,29-30H,4,9-16,19H2,1-2H3
InChIKeyBSOKOSGRLJVGLG-UHFFFAOYSA-N
XLogP4.53
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500557.74
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(1-methylcyclobutyl)-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-(3-methyloxetan-3-yl)-3-(5$#8243;-(methylsulfonamido)dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indoline]-1$#8243;-carbonyl)benzenesulfonamide
CID 167494174
CID 167493685
CID 167493685
CID 167493911
CID 167493911
CID 167493507
CID 167493507
CID 167493484
CID 167493484
CID 167493617
CID 167493617
N-(2,2-dimethyloxetan-3-yl)-3-[5-(methanesulfonamido)spiro[2H-indole-3,1'-cyclohexane]-1-carbonyl]benzenesulfonamide
CID 167493723
N-(2-allylcyclopropyl)-3-(5$#8243;-(methylsulfonamido)dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indoline]-1$#8243;-carbonyl)benzenesulfonamide
CID 167493689
3-[5-(methanesulfonamido)spiro[2H-indole-3,1'-cyclohexane]-1-carbonyl]-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 167493926
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
CID 167494190
CID 167494190

Frequently Asked Questions

What is the IUPAC name of N-(1-methylcyclobutyl)-3-(5$#8243;-(methylsulfonamido)dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indoline]-1$#8243;-carbonyl)benzenesulfonamide?
The IUPAC name of N-(1-methylcyclobutyl)-3-(5$#8243;-(methylsulfonamido)dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indoline]-1$#8243;-carbonyl)benzenesulfonamide (CID 168726719) is not available.
What is the SMILES notation for N-(1-methylcyclobutyl)-3-(5$#8243;-(methylsulfonamido)dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indoline]-1$#8243;-carbonyl)benzenesulfonamide?
The canonical SMILES for N-(1-methylcyclobutyl)-3-(5$#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)CCC1.
What is the InChIKey of N-(1-methylcyclobutyl)-3-(5$#8243;-(methylsulfonamido)dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indoline]-1$#8243;-carbonyl)benzenesulfonamide?
The InChIKey is BSOKOSGRLJVGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N3O5S2/c1-26(9-4-10-26)30-38(35,36)22-6-3-5-20(17-22)25(32)31-19-28(15-13-27(11-12-27)14-16-28)23-18-21(7-8-24(23)31)29-37(2,33)34/h3,5-8,17-18,29-30H,4,9-16,19H2,1-2H3.
What are the key properties of N-(1-methylcyclobutyl)-3-(5$#8243;-(methylsulfonamido)dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indoline]-1$#8243;-carbonyl)benzenesulfonamide?
N-(1-methylcyclobutyl)-3-(5$#8243;-(methylsulfonamido)dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indoline]-1$#8243;-carbonyl)benzenesulfonamide has a molecular weight of 557.74 g/mol, XLogP of 4.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylcyclobutyl)-3-(5$#8243;-(methylsulfonamido)dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indoline]-1$#8243;-carbonyl)benzenesulfonamide is sourced from PubChem (CID 168726719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).