N-[4-[(1-ethylpyrrol-2-yl)methylamino]phenyl]methanesulfonamide

C14H19N3O2S — CID 66411151

IUPACN-[4-[(1-ethylpyrrol-2-yl)methylamino]phenyl]methanesulfonamide
SMILESCCn1cccc1CNc1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C14H19N3O2S/c1-3-17-10-4-5-14(17)11-15-12-6-8-13(9-7-12)16-20(2,18)19/h4-10,15-16H,3,11H2,1-2H3
InChIKeyLRLVNAYQIPFYKH-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.49
Rot. Bonds6

About N-[4-[(1-ethylpyrrol-2-yl)methylamino]phenyl]methanesulfonamide

N-[4-[(1-ethylpyrrol-2-yl)methylamino]phenyl]methanesulfonamide (PubChem CID 66411151) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is N-[4-[(1-ethylpyrrol-2-yl)methylamino]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[(1-ethylpyrrol-2-yl)methylamino]phenyl]methanesulfonamide
PubChem CID66411151
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC NameN-[4-[(1-ethylpyrrol-2-yl)methylamino]phenyl]methanesulfonamide
SMILESCCn1cccc1CNc1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C14H19N3O2S/c1-3-17-10-4-5-14(17)11-15-12-6-8-13(9-7-12)16-20(2,18)19/h4-10,15-16H,3,11H2,1-2H3
InChIKeyLRLVNAYQIPFYKH-UHFFFAOYSA-N
XLogP2.49
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-ethylpyrrol-2-yl)methyl]-4-iodoaniline
CID 66413470
N-[5-[(1-ethylpyrrol-2-yl)methylamino]-2-fluorophenyl]methanesulfonamide
CID 66412524
N-[(1-ethylpyrrol-2-yl)methyl]-4-fluoroaniline
CID 66410705
N-[(1-ethylpyrrol-2-yl)methyl]-4-pyrazol-1-ylaniline
CID 66412112
tert-butyl N-[4-[(1-ethylpyrrol-2-yl)methylamino]phenyl]carbamate
CID 107240502
N-[(1-ethylpyrrol-2-yl)methyl]naphthalen-2-amine
CID 66411324
N-[(1-ethylpyrrol-2-yl)methyl]-2,3-dihydro-1H-inden-5-amine
CID 66413645
2-[4-[(1-ethylpyrrol-2-yl)methylamino]phenyl]-N,N-dimethylacetamide
CID 66410759
N-[(1-ethylpyrrol-2-yl)methyl]-2-methylsulfonylethanamine
CID 66411958
2-[4-[(1-ethylpyrrol-2-yl)methylamino]phenoxy]acetonitrile
CID 66410714
N-[(1-ethylpyrrol-2-yl)methyl]-6-methoxypyridin-3-amine
CID 66411078
4-bromo-N-[(1-ethylpyrrol-2-yl)methyl]-3-fluoroaniline
CID 66445212

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1-ethylpyrrol-2-yl)methylamino]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[(1-ethylpyrrol-2-yl)methylamino]phenyl]methanesulfonamide (CID 66411151) is N-[4-[(1-ethylpyrrol-2-yl)methylamino]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[(1-ethylpyrrol-2-yl)methylamino]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[(1-ethylpyrrol-2-yl)methylamino]phenyl]methanesulfonamide is CCn1cccc1CNc1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of N-[4-[(1-ethylpyrrol-2-yl)methylamino]phenyl]methanesulfonamide?
The InChIKey is LRLVNAYQIPFYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-3-17-10-4-5-14(17)11-15-12-6-8-13(9-7-12)16-20(2,18)19/h4-10,15-16H,3,11H2,1-2H3.
What are the key properties of N-[4-[(1-ethylpyrrol-2-yl)methylamino]phenyl]methanesulfonamide?
N-[4-[(1-ethylpyrrol-2-yl)methylamino]phenyl]methanesulfonamide has a molecular weight of 293.39 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1-ethylpyrrol-2-yl)methylamino]phenyl]methanesulfonamide is sourced from PubChem (CID 66411151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).