1-[3-[6-methyl-1-(4-methylphenyl)sulfonyl-7-oxopyrrolo[2,3-c]pyridin-4-yl]phenyl]ethanesulfonamide

C23H23N3O5S2 — CID 175923260

IUPAC1-[3-[6-methyl-1-(4-methylphenyl)sulfonyl-7-oxopyrrolo[2,3-c]pyridin-4-yl]phenyl]ethanesulfonamide
SMILESCc1ccc(S(=O)(=O)n2ccc3c(-c4cccc(C(C)S(N)(=O)=O)c4)cn(C)c(=O)c32)cc1
InChIInChI=1S/C23H23N3O5S2/c1-15-7-9-19(10-8-15)33(30,31)26-12-11-20-21(14-25(3)23(27)22(20)26)18-6-4-5-17(13-18)16(2)32(24,28)29/h4-14,16H,1-3H3,(H2,24,28,29)
InChIKeyJUZLHGFCOBNTRD-UHFFFAOYSA-N
MW485.59 g/mol
LogP2.90
Rot. Bonds5

About 1-[3-[6-methyl-1-(4-methylphenyl)sulfonyl-7-oxopyrrolo[2,3-c]pyridin-4-yl]phenyl]ethanesulfonamide

1-[3-[6-methyl-1-(4-methylphenyl)sulfonyl-7-oxopyrrolo[2,3-c]pyridin-4-yl]phenyl]ethanesulfonamide (PubChem CID 175923260) has the molecular formula C23H23N3O5S2 and a molecular weight of 485.59 g/mol. Its IUPAC name is 1-[3-[6-methyl-1-(4-methylphenyl)sulfonyl-7-oxopyrrolo[2,3-c]pyridin-4-yl]phenyl]ethanesulfonamide.

Molecular Properties

Compound Name1-[3-[6-methyl-1-(4-methylphenyl)sulfonyl-7-oxopyrrolo[2,3-c]pyridin-4-yl]phenyl]ethanesulfonamide
PubChem CID175923260
Molecular FormulaC23H23N3O5S2
Molecular Weight485.59 g/mol
Exact Mass485.11
IUPAC Name1-[3-[6-methyl-1-(4-methylphenyl)sulfonyl-7-oxopyrrolo[2,3-c]pyridin-4-yl]phenyl]ethanesulfonamide
SMILESCc1ccc(S(=O)(=O)n2ccc3c(-c4cccc(C(C)S(N)(=O)=O)c4)cn(C)c(=O)c32)cc1
InChIInChI=1S/C23H23N3O5S2/c1-15-7-9-19(10-8-15)33(30,31)26-12-11-20-21(14-25(3)23(27)22(20)26)18-6-4-5-17(13-18)16(2)32(24,28)29/h4-14,16H,1-3H3,(H2,24,28,29)
InChIKeyJUZLHGFCOBNTRD-UHFFFAOYSA-N
XLogP2.90
TPSA121.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.59
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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
4-[2-(aminomethyl)-1-methyl-4-phenoxybenzimidazol-5-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one
CID 118093846
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
4-[2-[4-[2-[(2R)-2,4-dimethyl-5-oxopiperazin-1-yl]ethoxy]phenyl]quinolin-6-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one
CID 164705159
ethane;N-[5-[6-ethyl-1-(4-formylphenyl)sulfonyl-7-oxopyrrolo[2,3-c]pyridin-4-yl]-2-methylphenyl]methanesulfonamide
CID 145148293
tert-butyl 2-[5-[6-methyl-1-(4-methylphenyl)sulfonyl-7-oxopyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 164705168
4-[6-[6-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]-3-pyridinyl]quinolin-2-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one
CID 163771729
6-methyl-1-(4-methylphenyl)sulfonyl-4-[6-[4-(2-morpholin-4-ylethoxy)phenyl]quinolin-2-yl]pyrrolo[2,3-c]pyridin-7-one
CID 163547694
4-[4-amino-2-(2,4-difluorophenoxy)-5-ethenyl-3-nitrophenyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one
CID 118093843
6-(aminomethyl)-2-[6-methyl-1-(4-methylphenyl)sulfonyl-7-oxopyrrolo[2,3-c]pyridin-4-yl]-2-propan-2-yl-4H-1,4-benzoxazin-3-one;hydrochloride
CID 155115135
4-[2-chloro-4-[1-cyclopropyloxy-2-(oxan-2-yloxy)-1-phenylethyl]quinazolin-6-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one
CID 170961899
4-[2-cyclobutyloxy-5-[(4-methoxyphenyl)methoxy]phenyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one
CID 155234551

Frequently Asked Questions

What is the IUPAC name of 1-[3-[6-methyl-1-(4-methylphenyl)sulfonyl-7-oxopyrrolo[2,3-c]pyridin-4-yl]phenyl]ethanesulfonamide?
The IUPAC name of 1-[3-[6-methyl-1-(4-methylphenyl)sulfonyl-7-oxopyrrolo[2,3-c]pyridin-4-yl]phenyl]ethanesulfonamide (CID 175923260) is 1-[3-[6-methyl-1-(4-methylphenyl)sulfonyl-7-oxopyrrolo[2,3-c]pyridin-4-yl]phenyl]ethanesulfonamide.
What is the SMILES notation for 1-[3-[6-methyl-1-(4-methylphenyl)sulfonyl-7-oxopyrrolo[2,3-c]pyridin-4-yl]phenyl]ethanesulfonamide?
The canonical SMILES for 1-[3-[6-methyl-1-(4-methylphenyl)sulfonyl-7-oxopyrrolo[2,3-c]pyridin-4-yl]phenyl]ethanesulfonamide is Cc1ccc(S(=O)(=O)n2ccc3c(-c4cccc(C(C)S(N)(=O)=O)c4)cn(C)c(=O)c32)cc1.
What is the InChIKey of 1-[3-[6-methyl-1-(4-methylphenyl)sulfonyl-7-oxopyrrolo[2,3-c]pyridin-4-yl]phenyl]ethanesulfonamide?
The InChIKey is JUZLHGFCOBNTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O5S2/c1-15-7-9-19(10-8-15)33(30,31)26-12-11-20-21(14-25(3)23(27)22(20)26)18-6-4-5-17(13-18)16(2)32(24,28)29/h4-14,16H,1-3H3,(H2,24,28,29).
What are the key properties of 1-[3-[6-methyl-1-(4-methylphenyl)sulfonyl-7-oxopyrrolo[2,3-c]pyridin-4-yl]phenyl]ethanesulfonamide?
1-[3-[6-methyl-1-(4-methylphenyl)sulfonyl-7-oxopyrrolo[2,3-c]pyridin-4-yl]phenyl]ethanesulfonamide has a molecular weight of 485.59 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[6-methyl-1-(4-methylphenyl)sulfonyl-7-oxopyrrolo[2,3-c]pyridin-4-yl]phenyl]ethanesulfonamide is sourced from PubChem (CID 175923260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).