N-ethyl-2-(1H-pyrrol-3-ylmethylamino)benzenesulfonamide

C13H17N3O2S — CID 66410475

IUPACN-ethyl-2-(1H-pyrrol-3-ylmethylamino)benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccccc1NCc1cc[nH]c1
InChIInChI=1S/C13H17N3O2S/c1-2-16-19(17,18)13-6-4-3-5-12(13)15-10-11-7-8-14-9-11/h3-9,14-16H,2,10H2,1H3
InChIKeyFGHMXDYPTQIEAI-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.92
Rot. Bonds6

About N-ethyl-2-(1H-pyrrol-3-ylmethylamino)benzenesulfonamide

N-ethyl-2-(1H-pyrrol-3-ylmethylamino)benzenesulfonamide (PubChem CID 66410475) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is N-ethyl-2-(1H-pyrrol-3-ylmethylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-2-(1H-pyrrol-3-ylmethylamino)benzenesulfonamide
PubChem CID66410475
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC NameN-ethyl-2-(1H-pyrrol-3-ylmethylamino)benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccccc1NCc1cc[nH]c1
InChIInChI=1S/C13H17N3O2S/c1-2-16-19(17,18)13-6-4-3-5-12(13)15-10-11-7-8-14-9-11/h3-9,14-16H,2,10H2,1H3
InChIKeyFGHMXDYPTQIEAI-UHFFFAOYSA-N
XLogP1.92
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-(1H-pyrrol-3-ylmethyl)benzenesulfonamide
CID 114182139
N-ethyl-2-hydrazinylbenzenesulfonamide
CID 43454365
N-benzyl-2-(ethylamino)benzenesulfonamide
CID 62148548
2-(2,2-dimethylbutylamino)-N-ethylbenzenesulfonamide
CID 103462606
N-ethyl-2-(2-pyrrolidin-1-ylethylamino)benzenesulfonamide
CID 62640898
N-ethyl-2-[(5-methylthiophen-2-yl)methylamino]benzenesulfonamide
CID 43715254
2-[(5-chlorofuran-2-yl)methylamino]-N-ethylbenzenesulfonamide
CID 60780514
N-ethyl-2-(2-hydroxypropylamino)benzenesulfonamide
CID 43500232
N-ethyl-2-[3-(ethylamino)propylamino]benzenesulfonamide
CID 54907058
N-ethyl-2-[[(E)-pent-3-enyl]amino]benzenesulfonamide
CID 113465748
N-[(4-bromophenyl)methyl]-2-(ethylamino)benzenesulfonamide
CID 62150324
N-ethyl-2-(4-methylpentylamino)benzenesulfonamide
CID 54913733

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(1H-pyrrol-3-ylmethylamino)benzenesulfonamide?
The IUPAC name of N-ethyl-2-(1H-pyrrol-3-ylmethylamino)benzenesulfonamide (CID 66410475) is N-ethyl-2-(1H-pyrrol-3-ylmethylamino)benzenesulfonamide.
What is the SMILES notation for N-ethyl-2-(1H-pyrrol-3-ylmethylamino)benzenesulfonamide?
The canonical SMILES for N-ethyl-2-(1H-pyrrol-3-ylmethylamino)benzenesulfonamide is CCNS(=O)(=O)c1ccccc1NCc1cc[nH]c1.
What is the InChIKey of N-ethyl-2-(1H-pyrrol-3-ylmethylamino)benzenesulfonamide?
The InChIKey is FGHMXDYPTQIEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-2-16-19(17,18)13-6-4-3-5-12(13)15-10-11-7-8-14-9-11/h3-9,14-16H,2,10H2,1H3.
What are the key properties of N-ethyl-2-(1H-pyrrol-3-ylmethylamino)benzenesulfonamide?
N-ethyl-2-(1H-pyrrol-3-ylmethylamino)benzenesulfonamide has a molecular weight of 279.37 g/mol, XLogP of 1.92, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(1H-pyrrol-3-ylmethylamino)benzenesulfonamide is sourced from PubChem (CID 66410475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).