N-[6-[1-(5-benzoyl-4-methyl-1H-pyrrol-2-yl)ethyl]-3-pyridinyl]methanesulfonamide

C20H21N3O3S — CID 23285892

IUPACN-[6-[1-(5-benzoyl-4-methyl-1H-pyrrol-2-yl)ethyl]-3-pyridinyl]methanesulfonamide
SMILESCc1cc(C(C)c2ccc(NS(C)(=O)=O)cn2)[nH]c1C(=O)c1ccccc1
InChIInChI=1S/C20H21N3O3S/c1-13-11-18(22-19(13)20(24)15-7-5-4-6-8-15)14(2)17-10-9-16(12-21-17)23-27(3,25)26/h4-12,14,22-23H,1-3H3
InChIKeyHSGQNWPSEIDQCX-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.47
Rot. Bonds6

About N-[6-[1-(5-benzoyl-4-methyl-1H-pyrrol-2-yl)ethyl]-3-pyridinyl]methanesulfonamide

N-[6-[1-(5-benzoyl-4-methyl-1H-pyrrol-2-yl)ethyl]-3-pyridinyl]methanesulfonamide (PubChem CID 23285892) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-[6-[1-(5-benzoyl-4-methyl-1H-pyrrol-2-yl)ethyl]-3-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[6-[1-(5-benzoyl-4-methyl-1H-pyrrol-2-yl)ethyl]-3-pyridinyl]methanesulfonamide
PubChem CID23285892
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC NameN-[6-[1-(5-benzoyl-4-methyl-1H-pyrrol-2-yl)ethyl]-3-pyridinyl]methanesulfonamide
SMILESCc1cc(C(C)c2ccc(NS(C)(=O)=O)cn2)[nH]c1C(=O)c1ccccc1
InChIInChI=1S/C20H21N3O3S/c1-13-11-18(22-19(13)20(24)15-7-5-4-6-8-15)14(2)17-10-9-16(12-21-17)23-27(3,25)26/h4-12,14,22-23H,1-3H3
InChIKeyHSGQNWPSEIDQCX-UHFFFAOYSA-N
XLogP3.47
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-[1-(5-benzoyl-4-methyl-1H-pyrrol-2-yl)ethyl]-3-pyridinyl]methanesulfonamide?
The IUPAC name of N-[6-[1-(5-benzoyl-4-methyl-1H-pyrrol-2-yl)ethyl]-3-pyridinyl]methanesulfonamide (CID 23285892) is N-[6-[1-(5-benzoyl-4-methyl-1H-pyrrol-2-yl)ethyl]-3-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[6-[1-(5-benzoyl-4-methyl-1H-pyrrol-2-yl)ethyl]-3-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[6-[1-(5-benzoyl-4-methyl-1H-pyrrol-2-yl)ethyl]-3-pyridinyl]methanesulfonamide is Cc1cc(C(C)c2ccc(NS(C)(=O)=O)cn2)[nH]c1C(=O)c1ccccc1.
What is the InChIKey of N-[6-[1-(5-benzoyl-4-methyl-1H-pyrrol-2-yl)ethyl]-3-pyridinyl]methanesulfonamide?
The InChIKey is HSGQNWPSEIDQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-13-11-18(22-19(13)20(24)15-7-5-4-6-8-15)14(2)17-10-9-16(12-21-17)23-27(3,25)26/h4-12,14,22-23H,1-3H3.
What are the key properties of N-[6-[1-(5-benzoyl-4-methyl-1H-pyrrol-2-yl)ethyl]-3-pyridinyl]methanesulfonamide?
N-[6-[1-(5-benzoyl-4-methyl-1H-pyrrol-2-yl)ethyl]-3-pyridinyl]methanesulfonamide has a molecular weight of 383.47 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[1-(5-benzoyl-4-methyl-1H-pyrrol-2-yl)ethyl]-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 23285892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).