N-[2-(1-methylpyrrol-2-yl)ethyl]-1-phenylmethanesulfonamide

C14H18N2O2S — CID 14152355

IUPACN-[2-(1-methylpyrrol-2-yl)ethyl]-1-phenylmethanesulfonamide
SMILESCn1cccc1CCNS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C14H18N2O2S/c1-16-11-5-8-14(16)9-10-15-19(17,18)12-13-6-3-2-4-7-13/h2-8,11,15H,9-10,12H2,1H3
InChIKeyUGEXJTRWKAVYLN-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.69
Rot. Bonds6

About N-[2-(1-methylpyrrol-2-yl)ethyl]-1-phenylmethanesulfonamide

N-[2-(1-methylpyrrol-2-yl)ethyl]-1-phenylmethanesulfonamide (PubChem CID 14152355) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is N-[2-(1-methylpyrrol-2-yl)ethyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-(1-methylpyrrol-2-yl)ethyl]-1-phenylmethanesulfonamide
PubChem CID14152355
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC NameN-[2-(1-methylpyrrol-2-yl)ethyl]-1-phenylmethanesulfonamide
SMILESCn1cccc1CCNS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C14H18N2O2S/c1-16-11-5-8-14(16)9-10-15-19(17,18)12-13-6-3-2-4-7-13/h2-8,11,15H,9-10,12H2,1H3
InChIKeyUGEXJTRWKAVYLN-UHFFFAOYSA-N
XLogP1.69
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpyrrol-2-yl)ethyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[2-(1-methylpyrrol-2-yl)ethyl]-1-phenylmethanesulfonamide (CID 14152355) is N-[2-(1-methylpyrrol-2-yl)ethyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[2-(1-methylpyrrol-2-yl)ethyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[2-(1-methylpyrrol-2-yl)ethyl]-1-phenylmethanesulfonamide is Cn1cccc1CCNS(=O)(=O)Cc1ccccc1.
What is the InChIKey of N-[2-(1-methylpyrrol-2-yl)ethyl]-1-phenylmethanesulfonamide?
The InChIKey is UGEXJTRWKAVYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-16-11-5-8-14(16)9-10-15-19(17,18)12-13-6-3-2-4-7-13/h2-8,11,15H,9-10,12H2,1H3.
What are the key properties of N-[2-(1-methylpyrrol-2-yl)ethyl]-1-phenylmethanesulfonamide?
N-[2-(1-methylpyrrol-2-yl)ethyl]-1-phenylmethanesulfonamide has a molecular weight of 278.38 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpyrrol-2-yl)ethyl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 14152355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).