N-cyclohex-2-en-1-yl-3-[5-(methanesulfonamido)spiro[2H-indole-3,1'-cyclohexane]-1-carbonyl]benzenesulfonamide

C27H33N3O5S2 — CID 167493680

IUPACN-cyclohex-2-en-1-yl-3-[5-(methanesulfonamido)spiro[2H-indole-3,1'-cyclohexane]-1-carbonyl]benzenesulfonamide
SMILESCS(=O)(=O)Nc1ccc2c(c1)C1(CCCCC1)CN2C(=O)c1cccc(S(=O)(=O)NC2C=CCCC2)c1
InChIInChI=1S/C27H33N3O5S2/c1-36(32,33)28-22-13-14-25-24(18-22)27(15-6-3-7-16-27)19-30(25)26(31)20-9-8-12-23(17-20)37(34,35)29-21-10-4-2-5-11-21/h4,8-10,12-14,17-18,21,28-29H,2-3,5-7,11,15-16,19H2,1H3
InChIKeyNWRQRODYIUGJTO-UHFFFAOYSA-N
MW543.71 g/mol
LogP4.31
Rot. Bonds6

About N-cyclohex-2-en-1-yl-3-[5-(methanesulfonamido)spiro[2H-indole-3,1'-cyclohexane]-1-carbonyl]benzenesulfonamide

N-cyclohex-2-en-1-yl-3-[5-(methanesulfonamido)spiro[2H-indole-3,1'-cyclohexane]-1-carbonyl]benzenesulfonamide (PubChem CID 167493680) has the molecular formula C27H33N3O5S2 and a molecular weight of 543.71 g/mol. Its IUPAC name is N-cyclohex-2-en-1-yl-3-[5-(methanesulfonamido)spiro[2H-indole-3,1'-cyclohexane]-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound NameN-cyclohex-2-en-1-yl-3-[5-(methanesulfonamido)spiro[2H-indole-3,1'-cyclohexane]-1-carbonyl]benzenesulfonamide
PubChem CID167493680
Molecular FormulaC27H33N3O5S2
Molecular Weight543.71 g/mol
Exact Mass543.19
IUPAC NameN-cyclohex-2-en-1-yl-3-[5-(methanesulfonamido)spiro[2H-indole-3,1'-cyclohexane]-1-carbonyl]benzenesulfonamide
SMILESCS(=O)(=O)Nc1ccc2c(c1)C1(CCCCC1)CN2C(=O)c1cccc(S(=O)(=O)NC2C=CCCC2)c1
InChIInChI=1S/C27H33N3O5S2/c1-36(32,33)28-22-13-14-25-24(18-22)27(15-6-3-7-16-27)19-30(25)26(31)20-9-8-12-23(17-20)37(34,35)29-21-10-4-2-5-11-21/h4,8-10,12-14,17-18,21,28-29H,2-3,5-7,11,15-16,19H2,1H3
InChIKeyNWRQRODYIUGJTO-UHFFFAOYSA-N
XLogP4.31
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.71
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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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
3-[5-(methanesulfonamido)spiro[2H-indole-3,1'-cyclohexane]-1-carbonyl]-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 167493926
CID 167493617
CID 167493617
N-(1-methylcyclobutyl)-3-(5$#8243;-(methylsulfonamido)dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indoline]-1$#8243;-carbonyl)benzenesulfonamide
CID 168726719
CID 167493507
CID 167493507
CID 167493685
CID 167493685
N-(3-methyloxetan-3-yl)-3-(5$#8243;-(methylsulfonamido)dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indoline]-1$#8243;-carbonyl)benzenesulfonamide
CID 167494174
CID 167493484
CID 167493484
N-tert-butyl-3-[5-(methanesulfonamido)spiro[2H-indole-3,4'-cyclopentene]-1-carbonyl]benzenesulfonamide
CID 168726745
N-(2-allylcyclopropyl)-3-(5$#8243;-(methylsulfonamido)dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indoline]-1$#8243;-carbonyl)benzenesulfonamide
CID 167493689
CID 167493911
CID 167493911
CID 167494190
CID 167494190

Frequently Asked Questions

What is the IUPAC name of N-cyclohex-2-en-1-yl-3-[5-(methanesulfonamido)spiro[2H-indole-3,1'-cyclohexane]-1-carbonyl]benzenesulfonamide?
The IUPAC name of N-cyclohex-2-en-1-yl-3-[5-(methanesulfonamido)spiro[2H-indole-3,1'-cyclohexane]-1-carbonyl]benzenesulfonamide (CID 167493680) is N-cyclohex-2-en-1-yl-3-[5-(methanesulfonamido)spiro[2H-indole-3,1'-cyclohexane]-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for N-cyclohex-2-en-1-yl-3-[5-(methanesulfonamido)spiro[2H-indole-3,1'-cyclohexane]-1-carbonyl]benzenesulfonamide?
The canonical SMILES for N-cyclohex-2-en-1-yl-3-[5-(methanesulfonamido)spiro[2H-indole-3,1'-cyclohexane]-1-carbonyl]benzenesulfonamide is CS(=O)(=O)Nc1ccc2c(c1)C1(CCCCC1)CN2C(=O)c1cccc(S(=O)(=O)NC2C=CCCC2)c1.
What is the InChIKey of N-cyclohex-2-en-1-yl-3-[5-(methanesulfonamido)spiro[2H-indole-3,1'-cyclohexane]-1-carbonyl]benzenesulfonamide?
The InChIKey is NWRQRODYIUGJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O5S2/c1-36(32,33)28-22-13-14-25-24(18-22)27(15-6-3-7-16-27)19-30(25)26(31)20-9-8-12-23(17-20)37(34,35)29-21-10-4-2-5-11-21/h4,8-10,12-14,17-18,21,28-29H,2-3,5-7,11,15-16,19H2,1H3.
What are the key properties of N-cyclohex-2-en-1-yl-3-[5-(methanesulfonamido)spiro[2H-indole-3,1'-cyclohexane]-1-carbonyl]benzenesulfonamide?
N-cyclohex-2-en-1-yl-3-[5-(methanesulfonamido)spiro[2H-indole-3,1'-cyclohexane]-1-carbonyl]benzenesulfonamide has a molecular weight of 543.71 g/mol, XLogP of 4.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohex-2-en-1-yl-3-[5-(methanesulfonamido)spiro[2H-indole-3,1'-cyclohexane]-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 167493680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).