1-(4-methoxyphenyl)sulfonyl-N-phenylpyrrolo[2,3-c]pyridin-7-amine

C20H17N3O3S — CID 58149816

IUPAC1-(4-methoxyphenyl)sulfonyl-N-phenylpyrrolo[2,3-c]pyridin-7-amine
SMILESCOc1ccc(S(=O)(=O)n2ccc3ccnc(Nc4ccccc4)c32)cc1
InChIInChI=1S/C20H17N3O3S/c1-26-17-7-9-18(10-8-17)27(24,25)23-14-12-15-11-13-21-20(19(15)23)22-16-5-3-2-4-6-16/h2-14H,1H3,(H,21,22)
InChIKeyHHDUECZINKKVKP-UHFFFAOYSA-N
MW379.44 g/mol
LogP4.03
Rot. Bonds5

About 1-(4-methoxyphenyl)sulfonyl-N-phenylpyrrolo[2,3-c]pyridin-7-amine

1-(4-methoxyphenyl)sulfonyl-N-phenylpyrrolo[2,3-c]pyridin-7-amine (PubChem CID 58149816) has the molecular formula C20H17N3O3S and a molecular weight of 379.44 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)sulfonyl-N-phenylpyrrolo[2,3-c]pyridin-7-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)sulfonyl-N-phenylpyrrolo[2,3-c]pyridin-7-amine
PubChem CID58149816
Molecular FormulaC20H17N3O3S
Molecular Weight379.44 g/mol
Exact Mass379.10
IUPAC Name1-(4-methoxyphenyl)sulfonyl-N-phenylpyrrolo[2,3-c]pyridin-7-amine
SMILESCOc1ccc(S(=O)(=O)n2ccc3ccnc(Nc4ccccc4)c32)cc1
InChIInChI=1S/C20H17N3O3S/c1-26-17-7-9-18(10-8-17)27(24,25)23-14-12-15-11-13-21-20(19(15)23)22-16-5-3-2-4-6-16/h2-14H,1H3,(H,21,22)
InChIKeyHHDUECZINKKVKP-UHFFFAOYSA-N
XLogP4.03
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)sulfonyl-N-phenylpyrrolo[2,3-c]pyridin-7-amine?
The IUPAC name of 1-(4-methoxyphenyl)sulfonyl-N-phenylpyrrolo[2,3-c]pyridin-7-amine (CID 58149816) is 1-(4-methoxyphenyl)sulfonyl-N-phenylpyrrolo[2,3-c]pyridin-7-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)sulfonyl-N-phenylpyrrolo[2,3-c]pyridin-7-amine?
The canonical SMILES for 1-(4-methoxyphenyl)sulfonyl-N-phenylpyrrolo[2,3-c]pyridin-7-amine is COc1ccc(S(=O)(=O)n2ccc3ccnc(Nc4ccccc4)c32)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)sulfonyl-N-phenylpyrrolo[2,3-c]pyridin-7-amine?
The InChIKey is HHDUECZINKKVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3S/c1-26-17-7-9-18(10-8-17)27(24,25)23-14-12-15-11-13-21-20(19(15)23)22-16-5-3-2-4-6-16/h2-14H,1H3,(H,21,22).
What are the key properties of 1-(4-methoxyphenyl)sulfonyl-N-phenylpyrrolo[2,3-c]pyridin-7-amine?
1-(4-methoxyphenyl)sulfonyl-N-phenylpyrrolo[2,3-c]pyridin-7-amine has a molecular weight of 379.44 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)sulfonyl-N-phenylpyrrolo[2,3-c]pyridin-7-amine is sourced from PubChem (CID 58149816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).