N-[2-[(1-propylpyrrol-3-yl)methylamino]phenyl]methanesulfonamide

C15H21N3O2S — CID 66414174

IUPACN-[2-[(1-propylpyrrol-3-yl)methylamino]phenyl]methanesulfonamide
SMILESCCCn1ccc(CNc2ccccc2NS(C)(=O)=O)c1
InChIInChI=1S/C15H21N3O2S/c1-3-9-18-10-8-13(12-18)11-16-14-6-4-5-7-15(14)17-21(2,19)20/h4-8,10,12,16-17H,3,9,11H2,1-2H3
InChIKeyJDJXINWBPKXHGR-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.88
Rot. Bonds7

About N-[2-[(1-propylpyrrol-3-yl)methylamino]phenyl]methanesulfonamide

N-[2-[(1-propylpyrrol-3-yl)methylamino]phenyl]methanesulfonamide (PubChem CID 66414174) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-[2-[(1-propylpyrrol-3-yl)methylamino]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(1-propylpyrrol-3-yl)methylamino]phenyl]methanesulfonamide
PubChem CID66414174
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC NameN-[2-[(1-propylpyrrol-3-yl)methylamino]phenyl]methanesulfonamide
SMILESCCCn1ccc(CNc2ccccc2NS(C)(=O)=O)c1
InChIInChI=1S/C15H21N3O2S/c1-3-9-18-10-8-13(12-18)11-16-14-6-4-5-7-15(14)17-21(2,19)20/h4-8,10,12,16-17H,3,9,11H2,1-2H3
InChIKeyJDJXINWBPKXHGR-UHFFFAOYSA-N
XLogP2.88
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-propylpyrrol-3-yl)methylamino]phenyl]methanesulfonamide?
The IUPAC name of N-[2-[(1-propylpyrrol-3-yl)methylamino]phenyl]methanesulfonamide (CID 66414174) is N-[2-[(1-propylpyrrol-3-yl)methylamino]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(1-propylpyrrol-3-yl)methylamino]phenyl]methanesulfonamide?
The canonical SMILES for N-[2-[(1-propylpyrrol-3-yl)methylamino]phenyl]methanesulfonamide is CCCn1ccc(CNc2ccccc2NS(C)(=O)=O)c1.
What is the InChIKey of N-[2-[(1-propylpyrrol-3-yl)methylamino]phenyl]methanesulfonamide?
The InChIKey is JDJXINWBPKXHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-3-9-18-10-8-13(12-18)11-16-14-6-4-5-7-15(14)17-21(2,19)20/h4-8,10,12,16-17H,3,9,11H2,1-2H3.
What are the key properties of N-[2-[(1-propylpyrrol-3-yl)methylamino]phenyl]methanesulfonamide?
N-[2-[(1-propylpyrrol-3-yl)methylamino]phenyl]methanesulfonamide has a molecular weight of 307.42 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-propylpyrrol-3-yl)methylamino]phenyl]methanesulfonamide is sourced from PubChem (CID 66414174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).