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

C13H17N3O2S — CID 62131328

IUPACN-[2-[(1-methylpyrrol-2-yl)methylamino]phenyl]methanesulfonamide
SMILESCn1cccc1CNc1ccccc1NS(C)(=O)=O
InChIInChI=1S/C13H17N3O2S/c1-16-9-5-6-11(16)10-14-12-7-3-4-8-13(12)15-19(2,17)18/h3-9,14-15H,10H2,1-2H3
InChIKeyQIZVEZXSZISDOV-UHFFFAOYSA-N
MW279.37 g/mol
LogP2.01
Rot. Bonds5

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

N-[2-[(1-methylpyrrol-2-yl)methylamino]phenyl]methanesulfonamide (PubChem CID 62131328) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is N-[2-[(1-methylpyrrol-2-yl)methylamino]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(1-methylpyrrol-2-yl)methylamino]phenyl]methanesulfonamide
PubChem CID62131328
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC NameN-[2-[(1-methylpyrrol-2-yl)methylamino]phenyl]methanesulfonamide
SMILESCn1cccc1CNc1ccccc1NS(C)(=O)=O
InChIInChI=1S/C13H17N3O2S/c1-16-9-5-6-11(16)10-14-12-7-3-4-8-13(12)15-19(2,17)18/h3-9,14-15H,10H2,1-2H3
InChIKeyQIZVEZXSZISDOV-UHFFFAOYSA-N
XLogP2.01
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-methylpyrrol-2-yl)methylamino]phenyl]methanesulfonamide?
The IUPAC name of N-[2-[(1-methylpyrrol-2-yl)methylamino]phenyl]methanesulfonamide (CID 62131328) is N-[2-[(1-methylpyrrol-2-yl)methylamino]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(1-methylpyrrol-2-yl)methylamino]phenyl]methanesulfonamide?
The canonical SMILES for N-[2-[(1-methylpyrrol-2-yl)methylamino]phenyl]methanesulfonamide is Cn1cccc1CNc1ccccc1NS(C)(=O)=O.
What is the InChIKey of N-[2-[(1-methylpyrrol-2-yl)methylamino]phenyl]methanesulfonamide?
The InChIKey is QIZVEZXSZISDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-16-9-5-6-11(16)10-14-12-7-3-4-8-13(12)15-19(2,17)18/h3-9,14-15H,10H2,1-2H3.
What are the key properties of N-[2-[(1-methylpyrrol-2-yl)methylamino]phenyl]methanesulfonamide?
N-[2-[(1-methylpyrrol-2-yl)methylamino]phenyl]methanesulfonamide has a molecular weight of 279.37 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-methylpyrrol-2-yl)methylamino]phenyl]methanesulfonamide is sourced from PubChem (CID 62131328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).