N-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzenesulfonamide

C15H15N3O2S — CID 82252428

IUPACN-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(C2=NCCN2)c1)c1ccccc1
InChIInChI=1S/C15H15N3O2S/c19-21(20,14-7-2-1-3-8-14)18-13-6-4-5-12(11-13)15-16-9-10-17-15/h1-8,11,18H,9-10H2,(H,16,17)
InChIKeyIXJAIAAGBRTVLO-UHFFFAOYSA-N
MW301.37 g/mol
LogP1.84
Rot. Bonds4

About N-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzenesulfonamide

N-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzenesulfonamide (PubChem CID 82252428) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is N-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzenesulfonamide
PubChem CID82252428
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC NameN-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(C2=NCCN2)c1)c1ccccc1
InChIInChI=1S/C15H15N3O2S/c19-21(20,14-7-2-1-3-8-14)18-13-6-4-5-12(11-13)15-16-9-10-17-15/h1-8,11,18H,9-10H2,(H,16,17)
InChIKeyIXJAIAAGBRTVLO-UHFFFAOYSA-N
XLogP1.84
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]sulfamoyl]phenyl]acetamide
CID 82252971
1-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-phenylurea
CID 66919843
2-(benzenesulfonamido)-N-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]propanamide
CID 82253133
1,3-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea
CID 20563379
3-(4,5-dihydro-1H-imidazol-2-yl)-N-(4-fluorophenyl)aniline
CID 175534747
N,N'-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]but-2-enediamide;dihydrochloride
CID 131880365
1-N,6-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]naphthalene-1,6-disulfonamide;hydrochloride
CID 54601103
3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-N-phenylbenzenesulfonamide
CID 67595359
CID 89119273
CID 89119273
N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide
CID 52669079
N,3-diphenylbenzenesulfonamide
CID 54513984
N-(2,3-dihydro-1H-indol-5-yl)benzenesulfonamide
CID 43604199

Frequently Asked Questions

What is the IUPAC name of N-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzenesulfonamide?
The IUPAC name of N-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzenesulfonamide (CID 82252428) is N-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzenesulfonamide?
The canonical SMILES for N-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzenesulfonamide is O=S(=O)(Nc1cccc(C2=NCCN2)c1)c1ccccc1.
What is the InChIKey of N-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzenesulfonamide?
The InChIKey is IXJAIAAGBRTVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c19-21(20,14-7-2-1-3-8-14)18-13-6-4-5-12(11-13)15-16-9-10-17-15/h1-8,11,18H,9-10H2,(H,16,17).
What are the key properties of N-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzenesulfonamide?
N-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzenesulfonamide has a molecular weight of 301.37 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 82252428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).