1-benzyl-4,5-dimethyl-3-pyridin-2-ylsulfonylpyrrol-2-amine

C18H19N3O2S — CID 2744024

IUPAC1-benzyl-4,5-dimethyl-3-pyridin-2-ylsulfonylpyrrol-2-amine
SMILESCc1c(S(=O)(=O)c2ccccn2)c(N)n(Cc2ccccc2)c1C
InChIInChI=1S/C18H19N3O2S/c1-13-14(2)21(12-15-8-4-3-5-9-15)18(19)17(13)24(22,23)16-10-6-7-11-20-16/h3-11H,12,19H2,1-2H3
InChIKeyDZTHRJFRPZGMHW-UHFFFAOYSA-N
MW341.44 g/mol
LogP2.96
Rot. Bonds4

About 1-benzyl-4,5-dimethyl-3-pyridin-2-ylsulfonylpyrrol-2-amine

1-benzyl-4,5-dimethyl-3-pyridin-2-ylsulfonylpyrrol-2-amine (PubChem CID 2744024) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 1-benzyl-4,5-dimethyl-3-pyridin-2-ylsulfonylpyrrol-2-amine.

Molecular Properties

Compound Name1-benzyl-4,5-dimethyl-3-pyridin-2-ylsulfonylpyrrol-2-amine
PubChem CID2744024
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name1-benzyl-4,5-dimethyl-3-pyridin-2-ylsulfonylpyrrol-2-amine
SMILESCc1c(S(=O)(=O)c2ccccn2)c(N)n(Cc2ccccc2)c1C
InChIInChI=1S/C18H19N3O2S/c1-13-14(2)21(12-15-8-4-3-5-9-15)18(19)17(13)24(22,23)16-10-6-7-11-20-16/h3-11H,12,19H2,1-2H3
InChIKeyDZTHRJFRPZGMHW-UHFFFAOYSA-N
XLogP2.96
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4,5-dimethyl-3-pyridin-2-ylsulfonylpyrrol-2-amine?
The IUPAC name of 1-benzyl-4,5-dimethyl-3-pyridin-2-ylsulfonylpyrrol-2-amine (CID 2744024) is 1-benzyl-4,5-dimethyl-3-pyridin-2-ylsulfonylpyrrol-2-amine.
What is the SMILES notation for 1-benzyl-4,5-dimethyl-3-pyridin-2-ylsulfonylpyrrol-2-amine?
The canonical SMILES for 1-benzyl-4,5-dimethyl-3-pyridin-2-ylsulfonylpyrrol-2-amine is Cc1c(S(=O)(=O)c2ccccn2)c(N)n(Cc2ccccc2)c1C.
What is the InChIKey of 1-benzyl-4,5-dimethyl-3-pyridin-2-ylsulfonylpyrrol-2-amine?
The InChIKey is DZTHRJFRPZGMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-13-14(2)21(12-15-8-4-3-5-9-15)18(19)17(13)24(22,23)16-10-6-7-11-20-16/h3-11H,12,19H2,1-2H3.
What are the key properties of 1-benzyl-4,5-dimethyl-3-pyridin-2-ylsulfonylpyrrol-2-amine?
1-benzyl-4,5-dimethyl-3-pyridin-2-ylsulfonylpyrrol-2-amine has a molecular weight of 341.44 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4,5-dimethyl-3-pyridin-2-ylsulfonylpyrrol-2-amine is sourced from PubChem (CID 2744024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).