N-[4-(2-methyl-1H-imidazol-5-yl)phenyl]propane-1-sulfonamide

C13H17N3O2S — CID 110735547

IUPACN-[4-(2-methyl-1H-imidazol-5-yl)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(-c2cnc(C)[nH]2)cc1
InChIInChI=1S/C13H17N3O2S/c1-3-8-19(17,18)16-12-6-4-11(5-7-12)13-9-14-10(2)15-13/h4-7,9,16H,3,8H2,1-2H3,(H,14,15)
InChIKeyQLRDCBLVYMCGPB-UHFFFAOYSA-N
MW279.37 g/mol
LogP2.54
Rot. Bonds5

About N-[4-(2-methyl-1H-imidazol-5-yl)phenyl]propane-1-sulfonamide

N-[4-(2-methyl-1H-imidazol-5-yl)phenyl]propane-1-sulfonamide (PubChem CID 110735547) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is N-[4-(2-methyl-1H-imidazol-5-yl)phenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[4-(2-methyl-1H-imidazol-5-yl)phenyl]propane-1-sulfonamide
PubChem CID110735547
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC NameN-[4-(2-methyl-1H-imidazol-5-yl)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(-c2cnc(C)[nH]2)cc1
InChIInChI=1S/C13H17N3O2S/c1-3-8-19(17,18)16-12-6-4-11(5-7-12)13-9-14-10(2)15-13/h4-7,9,16H,3,8H2,1-2H3,(H,14,15)
InChIKeyQLRDCBLVYMCGPB-UHFFFAOYSA-N
XLogP2.54
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-(2-methyl-1H-imidazol-5-yl)phenyl]propane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(2-methyl-1H-imidazol-5-yl)phenyl]methanesulfonamide
CID 110735545
N-[3-(2-methyl-1H-imidazol-5-yl)phenyl]ethanesulfonamide
CID 110735632
2-methyl-N-[4-(2-methyl-1H-imidazol-5-yl)phenyl]benzenesulfonamide
CID 110735573
N-[4-(4-methylanilino)phenyl]propane-1-sulfonamide
CID 112986049
azane;2-methyl-5-(4-methylphenyl)-1H-imidazole
CID 175302356
2-methyl-5-[4-(4-methylphenyl)phenyl]-1H-imidazole
CID 118357531
N-[4-(4-methyl-3-pyridinyl)phenyl]propane-1-sulfonamide
CID 66714284
N-[4-(2H-tetrazol-5-yl)phenyl]propane-1-sulfonamide
CID 110720244
5-(4-ethoxyphenyl)-2-methyl-1H-imidazole
CID 116883826
N-methyl-1-[4-(2-methyl-1H-imidazol-5-yl)phenyl]methanamine
CID 59598048
N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]propane-1-sulfonamide
CID 110669884
1-tert-butyl-3-[4-(2-methyl-1H-imidazol-5-yl)phenyl]urea
CID 110749218

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methyl-1H-imidazol-5-yl)phenyl]propane-1-sulfonamide?
The IUPAC name of N-[4-(2-methyl-1H-imidazol-5-yl)phenyl]propane-1-sulfonamide (CID 110735547) is N-[4-(2-methyl-1H-imidazol-5-yl)phenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[4-(2-methyl-1H-imidazol-5-yl)phenyl]propane-1-sulfonamide?
The canonical SMILES for N-[4-(2-methyl-1H-imidazol-5-yl)phenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(-c2cnc(C)[nH]2)cc1.
What is the InChIKey of N-[4-(2-methyl-1H-imidazol-5-yl)phenyl]propane-1-sulfonamide?
The InChIKey is QLRDCBLVYMCGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-3-8-19(17,18)16-12-6-4-11(5-7-12)13-9-14-10(2)15-13/h4-7,9,16H,3,8H2,1-2H3,(H,14,15).
What are the key properties of N-[4-(2-methyl-1H-imidazol-5-yl)phenyl]propane-1-sulfonamide?
N-[4-(2-methyl-1H-imidazol-5-yl)phenyl]propane-1-sulfonamide has a molecular weight of 279.37 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methyl-1H-imidazol-5-yl)phenyl]propane-1-sulfonamide is sourced from PubChem (CID 110735547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).