3-[1-(ethylamino)propyl]-N-(1H-imidazol-2-yl)benzenesulfonamide

C14H20N4O2S — CID 63563188

IUPAC3-[1-(ethylamino)propyl]-N-(1H-imidazol-2-yl)benzenesulfonamide
SMILESCCNC(CC)c1cccc(S(=O)(=O)Nc2ncc[nH]2)c1
InChIInChI=1S/C14H20N4O2S/c1-3-13(15-4-2)11-6-5-7-12(10-11)21(19,20)18-14-16-8-9-17-14/h5-10,13,15H,3-4H2,1-2H3,(H2,16,17,18)
InChIKeyJVWQRMAJHHTTMU-UHFFFAOYSA-N
MW308.41 g/mol
LogP2.27
Rot. Bonds7

About 3-[1-(ethylamino)propyl]-N-(1H-imidazol-2-yl)benzenesulfonamide

3-[1-(ethylamino)propyl]-N-(1H-imidazol-2-yl)benzenesulfonamide (PubChem CID 63563188) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 3-[1-(ethylamino)propyl]-N-(1H-imidazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-[1-(ethylamino)propyl]-N-(1H-imidazol-2-yl)benzenesulfonamide
PubChem CID63563188
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name3-[1-(ethylamino)propyl]-N-(1H-imidazol-2-yl)benzenesulfonamide
SMILESCCNC(CC)c1cccc(S(=O)(=O)Nc2ncc[nH]2)c1
InChIInChI=1S/C14H20N4O2S/c1-3-13(15-4-2)11-6-5-7-12(10-11)21(19,20)18-14-16-8-9-17-14/h5-10,13,15H,3-4H2,1-2H3,(H2,16,17,18)
InChIKeyJVWQRMAJHHTTMU-UHFFFAOYSA-N
XLogP2.27
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-imidazol-2-yl)-3-propanoylbenzenesulfonamide
CID 63563189
4-butan-2-yl-N-(1H-imidazol-2-yl)benzenesulfonamide
CID 55212177
N-[2-(dimethylamino)ethyl]-3-[1-(ethylamino)propyl]benzenesulfonamide
CID 60872842
methyl 2-[[3-[1-(ethylamino)propyl]phenyl]sulfonylamino]acetate
CID 60871696
N,N-diethyl-3-[1-(ethylamino)propyl]benzenesulfonamide
CID 60873037
3-amino-N-(1H-imidazol-2-yl)-4-methylbenzenesulfonamide
CID 63562930
N-ethyl-1-(3-pyridin-2-ylphenyl)propan-1-amine
CID 63678693
N-ethyl-1-(3-morpholin-4-ylsulfonylphenyl)propan-1-amine
CID 60872840
2-(1H-imidazol-2-yl)-N-methyl-1-(3-methylsulfonylphenyl)ethanamine
CID 43487152
N-ethyl-3-methyl-1-(3-methylsulfonylphenyl)pentan-1-amine
CID 115846387
3-[1-(ethylamino)ethyl]-N-phenylbenzenesulfonamide
CID 43506659
3-[1-(methylamino)propyl]-N-(1,2-oxazol-3-yl)benzenesulfonamide
CID 62904543

Frequently Asked Questions

What is the IUPAC name of 3-[1-(ethylamino)propyl]-N-(1H-imidazol-2-yl)benzenesulfonamide?
The IUPAC name of 3-[1-(ethylamino)propyl]-N-(1H-imidazol-2-yl)benzenesulfonamide (CID 63563188) is 3-[1-(ethylamino)propyl]-N-(1H-imidazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-[1-(ethylamino)propyl]-N-(1H-imidazol-2-yl)benzenesulfonamide?
The canonical SMILES for 3-[1-(ethylamino)propyl]-N-(1H-imidazol-2-yl)benzenesulfonamide is CCNC(CC)c1cccc(S(=O)(=O)Nc2ncc[nH]2)c1.
What is the InChIKey of 3-[1-(ethylamino)propyl]-N-(1H-imidazol-2-yl)benzenesulfonamide?
The InChIKey is JVWQRMAJHHTTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-3-13(15-4-2)11-6-5-7-12(10-11)21(19,20)18-14-16-8-9-17-14/h5-10,13,15H,3-4H2,1-2H3,(H2,16,17,18).
What are the key properties of 3-[1-(ethylamino)propyl]-N-(1H-imidazol-2-yl)benzenesulfonamide?
3-[1-(ethylamino)propyl]-N-(1H-imidazol-2-yl)benzenesulfonamide has a molecular weight of 308.41 g/mol, XLogP of 2.27, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(ethylamino)propyl]-N-(1H-imidazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 63563188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).