N-[4-[(1-ethylpyrrol-3-yl)methylamino]-2-methylphenyl]methanesulfonamide

C15H21N3O2S — CID 66415349

IUPACN-[4-[(1-ethylpyrrol-3-yl)methylamino]-2-methylphenyl]methanesulfonamide
SMILESCCn1ccc(CNc2ccc(NS(C)(=O)=O)c(C)c2)c1
InChIInChI=1S/C15H21N3O2S/c1-4-18-8-7-13(11-18)10-16-14-5-6-15(12(2)9-14)17-21(3,19)20/h5-9,11,16-17H,4,10H2,1-3H3
InChIKeyRCGUYGMUHOMTKQ-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.80
Rot. Bonds6

About N-[4-[(1-ethylpyrrol-3-yl)methylamino]-2-methylphenyl]methanesulfonamide

N-[4-[(1-ethylpyrrol-3-yl)methylamino]-2-methylphenyl]methanesulfonamide (PubChem CID 66415349) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-[4-[(1-ethylpyrrol-3-yl)methylamino]-2-methylphenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[(1-ethylpyrrol-3-yl)methylamino]-2-methylphenyl]methanesulfonamide
PubChem CID66415349
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC NameN-[4-[(1-ethylpyrrol-3-yl)methylamino]-2-methylphenyl]methanesulfonamide
SMILESCCn1ccc(CNc2ccc(NS(C)(=O)=O)c(C)c2)c1
InChIInChI=1S/C15H21N3O2S/c1-4-18-8-7-13(11-18)10-16-14-5-6-15(12(2)9-14)17-21(3,19)20/h5-9,11,16-17H,4,10H2,1-3H3
InChIKeyRCGUYGMUHOMTKQ-UHFFFAOYSA-N
XLogP2.80
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(1-ethylpyrrol-3-yl)methylamino]-2-methylphenyl]methanesulfonamide?
The IUPAC name of N-[4-[(1-ethylpyrrol-3-yl)methylamino]-2-methylphenyl]methanesulfonamide (CID 66415349) is N-[4-[(1-ethylpyrrol-3-yl)methylamino]-2-methylphenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[(1-ethylpyrrol-3-yl)methylamino]-2-methylphenyl]methanesulfonamide?
The canonical SMILES for N-[4-[(1-ethylpyrrol-3-yl)methylamino]-2-methylphenyl]methanesulfonamide is CCn1ccc(CNc2ccc(NS(C)(=O)=O)c(C)c2)c1.
What is the InChIKey of N-[4-[(1-ethylpyrrol-3-yl)methylamino]-2-methylphenyl]methanesulfonamide?
The InChIKey is RCGUYGMUHOMTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-4-18-8-7-13(11-18)10-16-14-5-6-15(12(2)9-14)17-21(3,19)20/h5-9,11,16-17H,4,10H2,1-3H3.
What are the key properties of N-[4-[(1-ethylpyrrol-3-yl)methylamino]-2-methylphenyl]methanesulfonamide?
N-[4-[(1-ethylpyrrol-3-yl)methylamino]-2-methylphenyl]methanesulfonamide has a molecular weight of 307.42 g/mol, XLogP of 2.80, 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-3-yl)methylamino]-2-methylphenyl]methanesulfonamide is sourced from PubChem (CID 66415349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).