3-[5-(methanesulfonamido)spiro[2H-indole-3,1'-cyclohexane]-1-carbonyl]-N-methyl-N-propan-2-ylbenzenesulfonamide

C25H33N3O5S2 — CID 167493926

IUPAC3-[5-(methanesulfonamido)spiro[2H-indole-3,1'-cyclohexane]-1-carbonyl]-N-methyl-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)N(C)S(=O)(=O)c1cccc(C(=O)N2CC3(CCCCC3)c3cc(NS(C)(=O)=O)ccc32)c1
InChIInChI=1S/C25H33N3O5S2/c1-18(2)27(3)35(32,33)21-10-8-9-19(15-21)24(29)28-17-25(13-6-5-7-14-25)22-16-20(11-12-23(22)28)26-34(4,30)31/h8-12,15-16,18,26H,5-7,13-14,17H2,1-4H3
InChIKeyNJJOWMPEXJNREF-UHFFFAOYSA-N
MW519.69 g/mol
LogP3.95
Rot. Bonds6

About 3-[5-(methanesulfonamido)spiro[2H-indole-3,1'-cyclohexane]-1-carbonyl]-N-methyl-N-propan-2-ylbenzenesulfonamide

3-[5-(methanesulfonamido)spiro[2H-indole-3,1'-cyclohexane]-1-carbonyl]-N-methyl-N-propan-2-ylbenzenesulfonamide (PubChem CID 167493926) has the molecular formula C25H33N3O5S2 and a molecular weight of 519.69 g/mol. Its IUPAC name is 3-[5-(methanesulfonamido)spiro[2H-indole-3,1'-cyclohexane]-1-carbonyl]-N-methyl-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-[5-(methanesulfonamido)spiro[2H-indole-3,1'-cyclohexane]-1-carbonyl]-N-methyl-N-propan-2-ylbenzenesulfonamide
PubChem CID167493926
Molecular FormulaC25H33N3O5S2
Molecular Weight519.69 g/mol
Exact Mass519.19
IUPAC Name3-[5-(methanesulfonamido)spiro[2H-indole-3,1'-cyclohexane]-1-carbonyl]-N-methyl-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)N(C)S(=O)(=O)c1cccc(C(=O)N2CC3(CCCCC3)c3cc(NS(C)(=O)=O)ccc32)c1
InChIInChI=1S/C25H33N3O5S2/c1-18(2)27(3)35(32,33)21-10-8-9-19(15-21)24(29)28-17-25(13-6-5-7-14-25)22-16-20(11-12-23(22)28)26-34(4,30)31/h8-12,15-16,18,26H,5-7,13-14,17H2,1-4H3
InChIKeyNJJOWMPEXJNREF-UHFFFAOYSA-N
XLogP3.95
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.69
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,2-dimethyloxetan-3-yl)-3-[5-(methanesulfonamido)spiro[2H-indole-3,1'-cyclohexane]-1-carbonyl]benzenesulfonamide
CID 167493723
CID 167493911
CID 167493911
CID 167493685
CID 167493685
N-cyclohex-2-en-1-yl-3-[5-(methanesulfonamido)spiro[2H-indole-3,1'-cyclohexane]-1-carbonyl]benzenesulfonamide
CID 167493680
N-(1-methylcyclobutyl)-3-(5$#8243;-(methylsulfonamido)dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indoline]-1$#8243;-carbonyl)benzenesulfonamide
CID 168726719
CID 167493484
CID 167493484
CID 167493507
CID 167493507
N-(3-methyloxetan-3-yl)-3-(5$#8243;-(methylsulfonamido)dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indoline]-1$#8243;-carbonyl)benzenesulfonamide
CID 167494174
CID 167493617
CID 167493617
N-tert-butyl-3-[5-(methanesulfonamido)spiro[2H-indole-3,4'-cyclopentene]-1-carbonyl]benzenesulfonamide
CID 168726745
CID 167494190
CID 167494190
N-(2-allylcyclopropyl)-3-(5$#8243;-(methylsulfonamido)dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indoline]-1$#8243;-carbonyl)benzenesulfonamide
CID 167493689

Frequently Asked Questions

What is the IUPAC name of 3-[5-(methanesulfonamido)spiro[2H-indole-3,1'-cyclohexane]-1-carbonyl]-N-methyl-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 3-[5-(methanesulfonamido)spiro[2H-indole-3,1'-cyclohexane]-1-carbonyl]-N-methyl-N-propan-2-ylbenzenesulfonamide (CID 167493926) is 3-[5-(methanesulfonamido)spiro[2H-indole-3,1'-cyclohexane]-1-carbonyl]-N-methyl-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 3-[5-(methanesulfonamido)spiro[2H-indole-3,1'-cyclohexane]-1-carbonyl]-N-methyl-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 3-[5-(methanesulfonamido)spiro[2H-indole-3,1'-cyclohexane]-1-carbonyl]-N-methyl-N-propan-2-ylbenzenesulfonamide is CC(C)N(C)S(=O)(=O)c1cccc(C(=O)N2CC3(CCCCC3)c3cc(NS(C)(=O)=O)ccc32)c1.
What is the InChIKey of 3-[5-(methanesulfonamido)spiro[2H-indole-3,1'-cyclohexane]-1-carbonyl]-N-methyl-N-propan-2-ylbenzenesulfonamide?
The InChIKey is NJJOWMPEXJNREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O5S2/c1-18(2)27(3)35(32,33)21-10-8-9-19(15-21)24(29)28-17-25(13-6-5-7-14-25)22-16-20(11-12-23(22)28)26-34(4,30)31/h8-12,15-16,18,26H,5-7,13-14,17H2,1-4H3.
What are the key properties of 3-[5-(methanesulfonamido)spiro[2H-indole-3,1'-cyclohexane]-1-carbonyl]-N-methyl-N-propan-2-ylbenzenesulfonamide?
3-[5-(methanesulfonamido)spiro[2H-indole-3,1'-cyclohexane]-1-carbonyl]-N-methyl-N-propan-2-ylbenzenesulfonamide has a molecular weight of 519.69 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(methanesulfonamido)spiro[2H-indole-3,1'-cyclohexane]-1-carbonyl]-N-methyl-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 167493926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).