N-[3-(1H-imidazol-2-yl)phenyl]-3-phenylpropane-1-sulfonamide

C18H19N3O2S — CID 110726477

IUPACN-[3-(1H-imidazol-2-yl)phenyl]-3-phenylpropane-1-sulfonamide
SMILESO=S(=O)(CCCc1ccccc1)Nc1cccc(-c2ncc[nH]2)c1
InChIInChI=1S/C18H19N3O2S/c22-24(23,13-5-8-15-6-2-1-3-7-15)21-17-10-4-9-16(14-17)18-19-11-12-20-18/h1-4,6-7,9-12,14,21H,5,8,13H2,(H,19,20)
InChIKeyDHHUNUGSFILCFQ-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.45
Rot. Bonds7

About N-[3-(1H-imidazol-2-yl)phenyl]-3-phenylpropane-1-sulfonamide

N-[3-(1H-imidazol-2-yl)phenyl]-3-phenylpropane-1-sulfonamide (PubChem CID 110726477) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is N-[3-(1H-imidazol-2-yl)phenyl]-3-phenylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-[3-(1H-imidazol-2-yl)phenyl]-3-phenylpropane-1-sulfonamide
PubChem CID110726477
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC NameN-[3-(1H-imidazol-2-yl)phenyl]-3-phenylpropane-1-sulfonamide
SMILESO=S(=O)(CCCc1ccccc1)Nc1cccc(-c2ncc[nH]2)c1
InChIInChI=1S/C18H19N3O2S/c22-24(23,13-5-8-15-6-2-1-3-7-15)21-17-10-4-9-16(14-17)18-19-11-12-20-18/h1-4,6-7,9-12,14,21H,5,8,13H2,(H,19,20)
InChIKeyDHHUNUGSFILCFQ-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

4-chloro-N-[3-(1H-imidazol-2-yl)phenyl]benzenesulfonamide
CID 110726450
2-phenyl-N-[3-(2H-tetrazol-5-yl)phenyl]ethanesulfonamide
CID 110720322
5-chloro-N-[3-(1H-imidazol-2-yl)phenyl]thiophene-2-sulfonamide
CID 110726466
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-phenylpropane-1-sulfonamide
CID 110724188
N-[4-(1H-imidazol-5-yl)phenyl]-3-phenylpropane-1-sulfonamide
CID 110668493
4-[3-(1H-imidazol-2-yl)anilino]-4-oxobutanoic acid
CID 110471079
2-amino-N-[3-(1H-imidazol-2-yl)phenyl]acetamide
CID 110470050
N-(3-amino-4-methylphenyl)-3-phenylpropane-1-sulfonamide
CID 39433050
N-(3-iodophenyl)-2-phenylethanesulfonamide
CID 47309570
N-[3-(1H-imidazol-2-yl)phenyl]pyridine-2-carboxamide
CID 110744210
N-(5-anilino-2-pyridinyl)-3-phenylpropane-1-sulfonamide
CID 113031280
N-[4-[3-(1H-imidazol-2-yl)anilino]-4-oxobutyl]benzamide
CID 56826380

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-imidazol-2-yl)phenyl]-3-phenylpropane-1-sulfonamide?
The IUPAC name of N-[3-(1H-imidazol-2-yl)phenyl]-3-phenylpropane-1-sulfonamide (CID 110726477) is N-[3-(1H-imidazol-2-yl)phenyl]-3-phenylpropane-1-sulfonamide.
What is the SMILES notation for N-[3-(1H-imidazol-2-yl)phenyl]-3-phenylpropane-1-sulfonamide?
The canonical SMILES for N-[3-(1H-imidazol-2-yl)phenyl]-3-phenylpropane-1-sulfonamide is O=S(=O)(CCCc1ccccc1)Nc1cccc(-c2ncc[nH]2)c1.
What is the InChIKey of N-[3-(1H-imidazol-2-yl)phenyl]-3-phenylpropane-1-sulfonamide?
The InChIKey is DHHUNUGSFILCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c22-24(23,13-5-8-15-6-2-1-3-7-15)21-17-10-4-9-16(14-17)18-19-11-12-20-18/h1-4,6-7,9-12,14,21H,5,8,13H2,(H,19,20).
What are the key properties of N-[3-(1H-imidazol-2-yl)phenyl]-3-phenylpropane-1-sulfonamide?
N-[3-(1H-imidazol-2-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-[3-(1H-imidazol-2-yl)phenyl]-3-phenylpropane-1-sulfonamide is sourced from PubChem (CID 110726477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).