N-[4-(1H-imidazol-5-yl)phenyl]-3-phenylpropane-1-sulfonamide

C18H19N3O2S — CID 110668493

IUPACN-[4-(1H-imidazol-5-yl)phenyl]-3-phenylpropane-1-sulfonamide
SMILESO=S(=O)(CCCc1ccccc1)Nc1ccc(-c2cnc[nH]2)cc1
InChIInChI=1S/C18H19N3O2S/c22-24(23,12-4-7-15-5-2-1-3-6-15)21-17-10-8-16(9-11-17)18-13-19-14-20-18/h1-3,5-6,8-11,13-14,21H,4,7,12H2,(H,19,20)
InChIKeyYZEVCMYWKYPDGH-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.45
Rot. Bonds7

About N-[4-(1H-imidazol-5-yl)phenyl]-3-phenylpropane-1-sulfonamide

N-[4-(1H-imidazol-5-yl)phenyl]-3-phenylpropane-1-sulfonamide (PubChem CID 110668493) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is N-[4-(1H-imidazol-5-yl)phenyl]-3-phenylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-[4-(1H-imidazol-5-yl)phenyl]-3-phenylpropane-1-sulfonamide
PubChem CID110668493
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC NameN-[4-(1H-imidazol-5-yl)phenyl]-3-phenylpropane-1-sulfonamide
SMILESO=S(=O)(CCCc1ccccc1)Nc1ccc(-c2cnc[nH]2)cc1
InChIInChI=1S/C18H19N3O2S/c22-24(23,12-4-7-15-5-2-1-3-6-15)21-17-10-8-16(9-11-17)18-13-19-14-20-18/h1-3,5-6,8-11,13-14,21H,4,7,12H2,(H,19,20)
InChIKeyYZEVCMYWKYPDGH-UHFFFAOYSA-N
XLogP3.45
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-N-[4-(1H-imidazol-5-yl)phenyl]methanesulfonamide
CID 84512961
1-(4-chlorophenyl)-N-[4-(1H-imidazol-5-yl)phenyl]methanesulfonamide
CID 22081061
N-[4-(butylamino)phenyl]-3-phenylpropane-1-sulfonamide
CID 112980309
N-[3-(1H-imidazol-2-yl)phenyl]-3-phenylpropane-1-sulfonamide
CID 110726477
3-[4-(1H-imidazol-5-yl)phenyl]-N-methylpropan-1-amine
CID 115029297
N-[4-(1H-imidazol-5-yl)phenyl]-4-methylbenzenesulfonamide
CID 84512772
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-phenylpropane-1-sulfonamide
CID 110724188
N-(5-anilino-2-pyridinyl)-3-phenylpropane-1-sulfonamide
CID 113031280
N-[4-(1H-imidazol-5-yl)phenyl]-1H-pyrazole-4-sulfonamide
CID 61275741
N-[4-(1H-imidazol-5-yl)phenyl]cyclopentanesulfonamide
CID 91956301
N-[4-(1H-imidazol-5-yl)phenyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 61275740
N-[4-(3-phenylpropylamino)phenyl]propane-1-sulfonamide
CID 112984765

Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-imidazol-5-yl)phenyl]-3-phenylpropane-1-sulfonamide?
The IUPAC name of N-[4-(1H-imidazol-5-yl)phenyl]-3-phenylpropane-1-sulfonamide (CID 110668493) is N-[4-(1H-imidazol-5-yl)phenyl]-3-phenylpropane-1-sulfonamide.
What is the SMILES notation for N-[4-(1H-imidazol-5-yl)phenyl]-3-phenylpropane-1-sulfonamide?
The canonical SMILES for N-[4-(1H-imidazol-5-yl)phenyl]-3-phenylpropane-1-sulfonamide is O=S(=O)(CCCc1ccccc1)Nc1ccc(-c2cnc[nH]2)cc1.
What is the InChIKey of N-[4-(1H-imidazol-5-yl)phenyl]-3-phenylpropane-1-sulfonamide?
The InChIKey is YZEVCMYWKYPDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c22-24(23,12-4-7-15-5-2-1-3-6-15)21-17-10-8-16(9-11-17)18-13-19-14-20-18/h1-3,5-6,8-11,13-14,21H,4,7,12H2,(H,19,20).
What are the key properties of N-[4-(1H-imidazol-5-yl)phenyl]-3-phenylpropane-1-sulfonamide?
N-[4-(1H-imidazol-5-yl)phenyl]-3-phenylpropane-1-sulfonamide has a molecular weight of 341.44 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-imidazol-5-yl)phenyl]-3-phenylpropane-1-sulfonamide is sourced from PubChem (CID 110668493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).