2-(ethylamino)-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide

C13H18N4O2S — CID 65231081

IUPAC2-(ethylamino)-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide
SMILESCCNc1ccccc1S(=O)(=O)NCCc1cnc[nH]1
InChIInChI=1S/C13H18N4O2S/c1-2-15-12-5-3-4-6-13(12)20(18,19)17-8-7-11-9-14-10-16-11/h3-6,9-10,15,17H,2,7-8H2,1H3,(H,14,16)
InChIKeyQNXFAPFLCNELKO-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.36
Rot. Bonds7

About 2-(ethylamino)-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide

2-(ethylamino)-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide (PubChem CID 65231081) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 2-(ethylamino)-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-(ethylamino)-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide
PubChem CID65231081
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name2-(ethylamino)-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide
SMILESCCNc1ccccc1S(=O)(=O)NCCc1cnc[nH]1
InChIInChI=1S/C13H18N4O2S/c1-2-15-12-5-3-4-6-13(12)20(18,19)17-8-7-11-9-14-10-16-11/h3-6,9-10,15,17H,2,7-8H2,1H3,(H,14,16)
InChIKeyQNXFAPFLCNELKO-UHFFFAOYSA-N
XLogP1.36
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethylamino)-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 62147752
2-(ethylaminomethyl)-N-[2-(1H-imidazol-5-yl)ethyl]thiophene-3-sulfonamide
CID 106066571
N-[2-(1H-imidazol-5-yl)ethyl]quinoline-8-sulfonamide
CID 4619893
2-(ethylamino)-N-pentylbenzenesulfonamide
CID 62162464
5-chloro-6-(ethylamino)-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-3-sulfonamide
CID 65236588
5-amino-2-ethoxy-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide
CID 65231475
2-(ethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
CID 106408027
4-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-2-methoxybenzenesulfonamide
CID 65231192
2,5-dichloro-N-[2-(1H-imidazol-5-yl)ethyl]thiophene-3-sulfonamide
CID 65231103
2-bromo-4-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide
CID 65231327
N-[2-(diethylamino)ethyl]-2-(ethylamino)benzenesulfonamide
CID 62150418
N-[2-(1H-imidazol-5-yl)ethyl]-2-methylpyrazole-3-sulfonamide
CID 104710176

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2-(ethylamino)-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide (CID 65231081) is 2-(ethylamino)-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-(ethylamino)-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-(ethylamino)-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide is CCNc1ccccc1S(=O)(=O)NCCc1cnc[nH]1.
What is the InChIKey of 2-(ethylamino)-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide?
The InChIKey is QNXFAPFLCNELKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-2-15-12-5-3-4-6-13(12)20(18,19)17-8-7-11-9-14-10-16-11/h3-6,9-10,15,17H,2,7-8H2,1H3,(H,14,16).
What are the key properties of 2-(ethylamino)-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide?
2-(ethylamino)-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide has a molecular weight of 294.38 g/mol, XLogP of 1.36, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 65231081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).