ethane;N-[5-[6-ethyl-1-(4-formylphenyl)sulfonyl-7-oxopyrrolo[2,3-c]pyridin-4-yl]-2-methylphenyl]methanesulfonamide

C26H29N3O6S2 — CID 145148293

IUPACethane;N-[5-[6-ethyl-1-(4-formylphenyl)sulfonyl-7-oxopyrrolo[2,3-c]pyridin-4-yl]-2-methylphenyl]methanesulfonamide
SMILESCC.CCn1cc(-c2ccc(C)c(NS(C)(=O)=O)c2)c2ccn(S(=O)(=O)c3ccc(C=O)cc3)c2c1=O
InChIInChI=1S/C24H23N3O6S2.C2H6/c1-4-26-14-21(18-8-5-16(2)22(13-18)25-34(3,30)31)20-11-12-27(23(20)24(26)29)35(32,33)19-9-6-17(15-28)7-10-19;1-2/h5-15,25H,4H2,1-3H3;1-2H3
InChIKeyCGGPOBUWLHGBCP-UHFFFAOYSA-N
MW543.67 g/mol
LogP4.25
Rot. Bonds7

About ethane;N-[5-[6-ethyl-1-(4-formylphenyl)sulfonyl-7-oxopyrrolo[2,3-c]pyridin-4-yl]-2-methylphenyl]methanesulfonamide

ethane;N-[5-[6-ethyl-1-(4-formylphenyl)sulfonyl-7-oxopyrrolo[2,3-c]pyridin-4-yl]-2-methylphenyl]methanesulfonamide (PubChem CID 145148293) has the molecular formula C26H29N3O6S2 and a molecular weight of 543.67 g/mol. Its IUPAC name is ethane;N-[5-[6-ethyl-1-(4-formylphenyl)sulfonyl-7-oxopyrrolo[2,3-c]pyridin-4-yl]-2-methylphenyl]methanesulfonamide.

Molecular Properties

Compound Nameethane;N-[5-[6-ethyl-1-(4-formylphenyl)sulfonyl-7-oxopyrrolo[2,3-c]pyridin-4-yl]-2-methylphenyl]methanesulfonamide
PubChem CID145148293
Molecular FormulaC26H29N3O6S2
Molecular Weight543.67 g/mol
Exact Mass543.15
IUPAC Nameethane;N-[5-[6-ethyl-1-(4-formylphenyl)sulfonyl-7-oxopyrrolo[2,3-c]pyridin-4-yl]-2-methylphenyl]methanesulfonamide
SMILESCC.CCn1cc(-c2ccc(C)c(NS(C)(=O)=O)c2)c2ccn(S(=O)(=O)c3ccc(C=O)cc3)c2c1=O
InChIInChI=1S/C24H23N3O6S2.C2H6/c1-4-26-14-21(18-8-5-16(2)22(13-18)25-34(3,30)31)20-11-12-27(23(20)24(26)29)35(32,33)19-9-6-17(15-28)7-10-19;1-2/h5-15,25H,4H2,1-3H3;1-2H3
InChIKeyCGGPOBUWLHGBCP-UHFFFAOYSA-N
XLogP4.25
TPSA124.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.67
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1-[3-[6-methyl-1-(4-methylphenyl)sulfonyl-7-oxopyrrolo[2,3-c]pyridin-4-yl]phenyl]ethanesulfonamide
CID 175923260
N-[5-(5-amino-2-methyl-1-oxoisoquinolin-4-yl)-2-methylphenyl]methanesulfonamide;ethane
CID 145148312
N,N-diethyl-3-(methanesulfonamido)-4-methylbenzenesulfonamide
CID 167869389
7-ethylsulfanyl-3-methyl-6-[6-methyl-1-(4-methylphenyl)sulfonyl-7-oxopyrrolo[2,3-c]pyridin-4-yl]-1H-benzimidazol-2-one
CID 118093904
N-[3-(4-formylphenyl)-1-propan-2-ylindol-6-yl]methanesulfonamide
CID 86628684
N-[1-benzyl-6-(2-methyl-1-oxoisoquinolin-4-yl)indol-4-yl]methanesulfonamide
CID 122623617
6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one
CID 86721062
methyl 5-[(3,5-difluoro-2-pyridinyl)amino]-4-[6-methyl-1-(4-methylphenyl)sulfonyl-7-oxopyrrolo[2,3-c]pyridin-4-yl]-2-(methylsulfonylmethyl)benzoate
CID 155072115
N-[5-(1,3-dioxoisoindol-2-yl)-2-methylphenyl]methanesulfonamide
CID 110352312
4-[(4-ethylpiperazin-1-yl)methyl]-2-[3-(methanesulfonamido)-4-methylphenyl]benzamide
CID 174740795
4-[2-cyclobutyloxy-5-[(4-methoxyphenyl)methoxy]phenyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one
CID 155234551
6-methyl-1-(4-methylphenyl)sulfonyl-4-[5-(methylsulfonylmethyl)-2-[[2-(pyridin-2-ylmethoxy)phenyl]methylamino]phenyl]pyrrolo[2,3-c]pyridin-7-one
CID 118863160

Frequently Asked Questions

What is the IUPAC name of ethane;N-[5-[6-ethyl-1-(4-formylphenyl)sulfonyl-7-oxopyrrolo[2,3-c]pyridin-4-yl]-2-methylphenyl]methanesulfonamide?
The IUPAC name of ethane;N-[5-[6-ethyl-1-(4-formylphenyl)sulfonyl-7-oxopyrrolo[2,3-c]pyridin-4-yl]-2-methylphenyl]methanesulfonamide (CID 145148293) is ethane;N-[5-[6-ethyl-1-(4-formylphenyl)sulfonyl-7-oxopyrrolo[2,3-c]pyridin-4-yl]-2-methylphenyl]methanesulfonamide.
What is the SMILES notation for ethane;N-[5-[6-ethyl-1-(4-formylphenyl)sulfonyl-7-oxopyrrolo[2,3-c]pyridin-4-yl]-2-methylphenyl]methanesulfonamide?
The canonical SMILES for ethane;N-[5-[6-ethyl-1-(4-formylphenyl)sulfonyl-7-oxopyrrolo[2,3-c]pyridin-4-yl]-2-methylphenyl]methanesulfonamide is CC.CCn1cc(-c2ccc(C)c(NS(C)(=O)=O)c2)c2ccn(S(=O)(=O)c3ccc(C=O)cc3)c2c1=O.
What is the InChIKey of ethane;N-[5-[6-ethyl-1-(4-formylphenyl)sulfonyl-7-oxopyrrolo[2,3-c]pyridin-4-yl]-2-methylphenyl]methanesulfonamide?
The InChIKey is CGGPOBUWLHGBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O6S2.C2H6/c1-4-26-14-21(18-8-5-16(2)22(13-18)25-34(3,30)31)20-11-12-27(23(20)24(26)29)35(32,33)19-9-6-17(15-28)7-10-19;1-2/h5-15,25H,4H2,1-3H3;1-2H3.
What are the key properties of ethane;N-[5-[6-ethyl-1-(4-formylphenyl)sulfonyl-7-oxopyrrolo[2,3-c]pyridin-4-yl]-2-methylphenyl]methanesulfonamide?
ethane;N-[5-[6-ethyl-1-(4-formylphenyl)sulfonyl-7-oxopyrrolo[2,3-c]pyridin-4-yl]-2-methylphenyl]methanesulfonamide has a molecular weight of 543.67 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[5-[6-ethyl-1-(4-formylphenyl)sulfonyl-7-oxopyrrolo[2,3-c]pyridin-4-yl]-2-methylphenyl]methanesulfonamide is sourced from PubChem (CID 145148293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).