N-(2-imidazol-1-ylethyl)-3-phenylpropane-1-sulfonamide

C14H19N3O2S — CID 140993552

IUPACN-(2-imidazol-1-ylethyl)-3-phenylpropane-1-sulfonamide
SMILESO=S(=O)(CCCc1ccccc1)NCCn1ccnc1
InChIInChI=1S/C14H19N3O2S/c18-20(19,16-9-11-17-10-8-15-13-17)12-4-7-14-5-2-1-3-6-14/h1-3,5-6,8,10,13,16H,4,7,9,11-12H2
InChIKeyHROHCKPPLRQDPY-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.44
Rot. Bonds8

About N-(2-imidazol-1-ylethyl)-3-phenylpropane-1-sulfonamide

N-(2-imidazol-1-ylethyl)-3-phenylpropane-1-sulfonamide (PubChem CID 140993552) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is N-(2-imidazol-1-ylethyl)-3-phenylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-imidazol-1-ylethyl)-3-phenylpropane-1-sulfonamide
PubChem CID140993552
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC NameN-(2-imidazol-1-ylethyl)-3-phenylpropane-1-sulfonamide
SMILESO=S(=O)(CCCc1ccccc1)NCCn1ccnc1
InChIInChI=1S/C14H19N3O2S/c18-20(19,16-9-11-17-10-8-15-13-17)12-4-7-14-5-2-1-3-6-14/h1-3,5-6,8,10,13,16H,4,7,9,11-12H2
InChIKeyHROHCKPPLRQDPY-UHFFFAOYSA-N
XLogP1.44
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(8-phenyloctyl)imidazole
CID 102394184
2-(4-chlorophenyl)-N-(4-imidazol-1-ylbutyl)ethanesulfonamide
CID 140993558
1-(3-imidazol-1-ylpropyl)-3-(2-phenylethyl)thiourea
CID 4832222
1-(2-imidazol-1-ylethyl)-2-methyl-3-(3-phenylpropyl)guanidine
CID 111198866
N-(4-imidazol-1-ylbutyl)-4-(methylamino)butane-1-sulfonamide
CID 106054419
N-(3-imidazol-1-ylpropyl)ethanesulfonamide
CID 19685069
3-phenyl-N-[2-(1,3-thiazol-5-yl)ethyl]propane-1-sulfonamide
CID 110717616
1-(3-imidazol-1-ylpropyl)-2-methyl-3-(2-phenylethyl)guanidine
CID 111135289
3-chloro-N-(3-phenylpropyl)propane-1-sulfonamide
CID 43654108
2-phenyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]ethanesulfonamide
CID 90588125
N-(2-imidazo[1,5-a]pyridin-3-ylethyl)-3-phenylpropane-1-sulfonamide
CID 112500601
1-(3-imidazol-1-ylpropyl)-2-methyl-3-(2-phenylethyl)guanidine;hydroiodide
CID 111135288

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylethyl)-3-phenylpropane-1-sulfonamide?
The IUPAC name of N-(2-imidazol-1-ylethyl)-3-phenylpropane-1-sulfonamide (CID 140993552) is N-(2-imidazol-1-ylethyl)-3-phenylpropane-1-sulfonamide.
What is the SMILES notation for N-(2-imidazol-1-ylethyl)-3-phenylpropane-1-sulfonamide?
The canonical SMILES for N-(2-imidazol-1-ylethyl)-3-phenylpropane-1-sulfonamide is O=S(=O)(CCCc1ccccc1)NCCn1ccnc1.
What is the InChIKey of N-(2-imidazol-1-ylethyl)-3-phenylpropane-1-sulfonamide?
The InChIKey is HROHCKPPLRQDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c18-20(19,16-9-11-17-10-8-15-13-17)12-4-7-14-5-2-1-3-6-14/h1-3,5-6,8,10,13,16H,4,7,9,11-12H2.
What are the key properties of N-(2-imidazol-1-ylethyl)-3-phenylpropane-1-sulfonamide?
N-(2-imidazol-1-ylethyl)-3-phenylpropane-1-sulfonamide has a molecular weight of 293.39 g/mol, XLogP of 1.44, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylethyl)-3-phenylpropane-1-sulfonamide is sourced from PubChem (CID 140993552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).