N-(1$#8243;-(2-(cyclopentyl(hydroxy)methyl)isonicotinoyl) dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indolin]-5$#8243;-yl)methanesulfonamide

C28H35N3O4S — CID 167494142

IUPAC—
SMILESCS(=O)(=O)Nc1ccc2c(c1)C1(CCC3(CC3)CC1)CN2C(=O)c1ccnc(C(O)C2CCCC2)c1
InChIInChI=1S/C28H35N3O4S/c1-36(34,35)30-21-6-7-24-22(17-21)28(13-11-27(9-10-27)12-14-28)18-31(24)26(33)20-8-15-29-23(16-20)25(32)19-4-2-3-5-19/h6-8,15-17,19,25,30,32H,2-5,9-14,18H2,1H3
InChIKeyCADOTQCNBWUGFM-UHFFFAOYSA-N
MW509.67 g/mol
LogP4.93
Rot. Bonds5

About N-(1$#8243;-(2-(cyclopentyl(hydroxy)methyl)isonicotinoyl) dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indolin]-5$#8243;-yl)methanesulfonamide

N-(1$#8243;-(2-(cyclopentyl(hydroxy)methyl)isonicotinoyl) dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indolin]-5$#8243;-yl)methanesulfonamide (PubChem CID 167494142) has the molecular formula C28H35N3O4S and a molecular weight of 509.67 g/mol.

Molecular Properties

Compound NameN-(1$#8243;-(2-(cyclopentyl(hydroxy)methyl)isonicotinoyl) dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indolin]-5$#8243;-yl)methanesulfonamide
PubChem CID167494142
Molecular FormulaC28H35N3O4S
Molecular Weight509.67 g/mol
Exact Mass509.23
IUPAC Name—
SMILESCS(=O)(=O)Nc1ccc2c(c1)C1(CCC3(CC3)CC1)CN2C(=O)c1ccnc(C(O)C2CCCC2)c1
InChIInChI=1S/C28H35N3O4S/c1-36(34,35)30-21-6-7-24-22(17-21)28(13-11-27(9-10-27)12-14-28)18-31(24)26(33)20-8-15-29-23(16-20)25(32)19-4-2-3-5-19/h6-8,15-17,19,25,30,32H,2-5,9-14,18H2,1H3
InChIKeyCADOTQCNBWUGFM-UHFFFAOYSA-N
XLogP4.93
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.67
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1$#8243;-(2-(cyclopentyl(hydroxy)methyl)isonicotinoyl) dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indolin]-5$#8243;-yl)methanesulfonamide?
The IUPAC name of N-(1$#8243;-(2-(cyclopentyl(hydroxy)methyl)isonicotinoyl) dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indolin]-5$#8243;-yl)methanesulfonamide (CID 167494142) is not available.
What is the SMILES notation for N-(1$#8243;-(2-(cyclopentyl(hydroxy)methyl)isonicotinoyl) dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indolin]-5$#8243;-yl)methanesulfonamide?
The canonical SMILES for N-(1$#8243;-(2-(cyclopentyl(hydroxy)methyl)isonicotinoyl) dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indolin]-5$#8243;-yl)methanesulfonamide is CS(=O)(=O)Nc1ccc2c(c1)C1(CCC3(CC3)CC1)CN2C(=O)c1ccnc(C(O)C2CCCC2)c1.
What is the InChIKey of N-(1$#8243;-(2-(cyclopentyl(hydroxy)methyl)isonicotinoyl) dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indolin]-5$#8243;-yl)methanesulfonamide?
The InChIKey is CADOTQCNBWUGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N3O4S/c1-36(34,35)30-21-6-7-24-22(17-21)28(13-11-27(9-10-27)12-14-28)18-31(24)26(33)20-8-15-29-23(16-20)25(32)19-4-2-3-5-19/h6-8,15-17,19,25,30,32H,2-5,9-14,18H2,1H3.
What are the key properties of N-(1$#8243;-(2-(cyclopentyl(hydroxy)methyl)isonicotinoyl) dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indolin]-5$#8243;-yl)methanesulfonamide?
N-(1$#8243;-(2-(cyclopentyl(hydroxy)methyl)isonicotinoyl) dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indolin]-5$#8243;-yl)methanesulfonamide has a molecular weight of 509.67 g/mol, XLogP of 4.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1$#8243;-(2-(cyclopentyl(hydroxy)methyl)isonicotinoyl) dispiro[cyclopropane-1,1'-cyclohexane-4',3$#8243;-indolin]-5$#8243;-yl)methanesulfonamide is sourced from PubChem (CID 167494142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).