1-[(2-chlorophenyl)methyl]-4,5-dimethyl-3-pyridin-2-ylsulfonylpyrrol-2-amine

C18H18ClN3O2S — CID 2744023

IUPAC1-[(2-chlorophenyl)methyl]-4,5-dimethyl-3-pyridin-2-ylsulfonylpyrrol-2-amine
SMILESCc1c(S(=O)(=O)c2ccccn2)c(N)n(Cc2ccccc2Cl)c1C
InChIInChI=1S/C18H18ClN3O2S/c1-12-13(2)22(11-14-7-3-4-8-15(14)19)18(20)17(12)25(23,24)16-9-5-6-10-21-16/h3-10H,11,20H2,1-2H3
InChIKeyHGODCLRYZXGPAO-UHFFFAOYSA-N
MW375.88 g/mol
LogP3.62
Rot. Bonds4

About 1-[(2-chlorophenyl)methyl]-4,5-dimethyl-3-pyridin-2-ylsulfonylpyrrol-2-amine

1-[(2-chlorophenyl)methyl]-4,5-dimethyl-3-pyridin-2-ylsulfonylpyrrol-2-amine (PubChem CID 2744023) has the molecular formula C18H18ClN3O2S and a molecular weight of 375.88 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-4,5-dimethyl-3-pyridin-2-ylsulfonylpyrrol-2-amine.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-4,5-dimethyl-3-pyridin-2-ylsulfonylpyrrol-2-amine
PubChem CID2744023
Molecular FormulaC18H18ClN3O2S
Molecular Weight375.88 g/mol
Exact Mass375.08
IUPAC Name1-[(2-chlorophenyl)methyl]-4,5-dimethyl-3-pyridin-2-ylsulfonylpyrrol-2-amine
SMILESCc1c(S(=O)(=O)c2ccccn2)c(N)n(Cc2ccccc2Cl)c1C
InChIInChI=1S/C18H18ClN3O2S/c1-12-13(2)22(11-14-7-3-4-8-15(14)19)18(20)17(12)25(23,24)16-9-5-6-10-21-16/h3-10H,11,20H2,1-2H3
InChIKeyHGODCLRYZXGPAO-UHFFFAOYSA-N
XLogP3.62
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.88
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-4,5-dimethyl-3-pyridin-2-ylsulfonylpyrrol-2-amine?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-4,5-dimethyl-3-pyridin-2-ylsulfonylpyrrol-2-amine (CID 2744023) is 1-[(2-chlorophenyl)methyl]-4,5-dimethyl-3-pyridin-2-ylsulfonylpyrrol-2-amine.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-4,5-dimethyl-3-pyridin-2-ylsulfonylpyrrol-2-amine?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-4,5-dimethyl-3-pyridin-2-ylsulfonylpyrrol-2-amine is Cc1c(S(=O)(=O)c2ccccn2)c(N)n(Cc2ccccc2Cl)c1C.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-4,5-dimethyl-3-pyridin-2-ylsulfonylpyrrol-2-amine?
The InChIKey is HGODCLRYZXGPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O2S/c1-12-13(2)22(11-14-7-3-4-8-15(14)19)18(20)17(12)25(23,24)16-9-5-6-10-21-16/h3-10H,11,20H2,1-2H3.
What are the key properties of 1-[(2-chlorophenyl)methyl]-4,5-dimethyl-3-pyridin-2-ylsulfonylpyrrol-2-amine?
1-[(2-chlorophenyl)methyl]-4,5-dimethyl-3-pyridin-2-ylsulfonylpyrrol-2-amine has a molecular weight of 375.88 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-4,5-dimethyl-3-pyridin-2-ylsulfonylpyrrol-2-amine is sourced from PubChem (CID 2744023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).