N-[3-[(1-methyl-2-phenylpyrrolo[3,2-c]pyridin-4-yl)amino]phenyl]methanesulfonamide

C21H20N4O2S — CID 71729400

IUPACN-[3-[(1-methyl-2-phenylpyrrolo[3,2-c]pyridin-4-yl)amino]phenyl]methanesulfonamide
SMILESCn1c(-c2ccccc2)cc2c(Nc3cccc(NS(C)(=O)=O)c3)nccc21
InChIInChI=1S/C21H20N4O2S/c1-25-19-11-12-22-21(18(19)14-20(25)15-7-4-3-5-8-15)23-16-9-6-10-17(13-16)24-28(2,26)27/h3-14,24H,1-2H3,(H,22,23)
InChIKeyAWVJWEYEVHXFOV-UHFFFAOYSA-N
MW392.48 g/mol
LogP4.36
Rot. Bonds5

About N-[3-[(1-methyl-2-phenylpyrrolo[3,2-c]pyridin-4-yl)amino]phenyl]methanesulfonamide

N-[3-[(1-methyl-2-phenylpyrrolo[3,2-c]pyridin-4-yl)amino]phenyl]methanesulfonamide (PubChem CID 71729400) has the molecular formula C21H20N4O2S and a molecular weight of 392.48 g/mol. Its IUPAC name is N-[3-[(1-methyl-2-phenylpyrrolo[3,2-c]pyridin-4-yl)amino]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[(1-methyl-2-phenylpyrrolo[3,2-c]pyridin-4-yl)amino]phenyl]methanesulfonamide
PubChem CID71729400
Molecular FormulaC21H20N4O2S
Molecular Weight392.48 g/mol
Exact Mass392.13
IUPAC NameN-[3-[(1-methyl-2-phenylpyrrolo[3,2-c]pyridin-4-yl)amino]phenyl]methanesulfonamide
SMILESCn1c(-c2ccccc2)cc2c(Nc3cccc(NS(C)(=O)=O)c3)nccc21
InChIInChI=1S/C21H20N4O2S/c1-25-19-11-12-22-21(18(19)14-20(25)15-7-4-3-5-8-15)23-16-9-6-10-17(13-16)24-28(2,26)27/h3-14,24H,1-2H3,(H,22,23)
InChIKeyAWVJWEYEVHXFOV-UHFFFAOYSA-N
XLogP4.36
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(1-methyl-2-phenylpyrrolo[3,2-c]pyridin-4-yl)amino]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[(1-methyl-2-phenylpyrrolo[3,2-c]pyridin-4-yl)amino]phenyl]methanesulfonamide (CID 71729400) is N-[3-[(1-methyl-2-phenylpyrrolo[3,2-c]pyridin-4-yl)amino]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[(1-methyl-2-phenylpyrrolo[3,2-c]pyridin-4-yl)amino]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[(1-methyl-2-phenylpyrrolo[3,2-c]pyridin-4-yl)amino]phenyl]methanesulfonamide is Cn1c(-c2ccccc2)cc2c(Nc3cccc(NS(C)(=O)=O)c3)nccc21.
What is the InChIKey of N-[3-[(1-methyl-2-phenylpyrrolo[3,2-c]pyridin-4-yl)amino]phenyl]methanesulfonamide?
The InChIKey is AWVJWEYEVHXFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2S/c1-25-19-11-12-22-21(18(19)14-20(25)15-7-4-3-5-8-15)23-16-9-6-10-17(13-16)24-28(2,26)27/h3-14,24H,1-2H3,(H,22,23).
What are the key properties of N-[3-[(1-methyl-2-phenylpyrrolo[3,2-c]pyridin-4-yl)amino]phenyl]methanesulfonamide?
N-[3-[(1-methyl-2-phenylpyrrolo[3,2-c]pyridin-4-yl)amino]phenyl]methanesulfonamide has a molecular weight of 392.48 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1-methyl-2-phenylpyrrolo[3,2-c]pyridin-4-yl)amino]phenyl]methanesulfonamide is sourced from PubChem (CID 71729400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).