N-[4-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-methylphenyl]propane-2-sulfonamide

C14H21N3O2S — CID 142822066

IUPACN-[4-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-methylphenyl]propane-2-sulfonamide
SMILESCc1cc(CC2=NCCN2)ccc1NS(=O)(=O)C(C)C
InChIInChI=1S/C14H21N3O2S/c1-10(2)20(18,19)17-13-5-4-12(8-11(13)3)9-14-15-6-7-16-14/h4-5,8,10,17H,6-7,9H2,1-3H3,(H,15,16)
InChIKeyOBSMVXVKORLBFW-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.69
Rot. Bonds5

About N-[4-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-methylphenyl]propane-2-sulfonamide

N-[4-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-methylphenyl]propane-2-sulfonamide (PubChem CID 142822066) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is N-[4-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-methylphenyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[4-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-methylphenyl]propane-2-sulfonamide
PubChem CID142822066
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC NameN-[4-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-methylphenyl]propane-2-sulfonamide
SMILESCc1cc(CC2=NCCN2)ccc1NS(=O)(=O)C(C)C
InChIInChI=1S/C14H21N3O2S/c1-10(2)20(18,19)17-13-5-4-12(8-11(13)3)9-14-15-6-7-16-14/h4-5,8,10,17H,6-7,9H2,1-3H3,(H,15,16)
InChIKeyOBSMVXVKORLBFW-UHFFFAOYSA-N
XLogP1.69
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-methylphenyl]propane-2-sulfonamide?
The IUPAC name of N-[4-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-methylphenyl]propane-2-sulfonamide (CID 142822066) is N-[4-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-methylphenyl]propane-2-sulfonamide.
What is the SMILES notation for N-[4-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-methylphenyl]propane-2-sulfonamide?
The canonical SMILES for N-[4-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-methylphenyl]propane-2-sulfonamide is Cc1cc(CC2=NCCN2)ccc1NS(=O)(=O)C(C)C.
What is the InChIKey of N-[4-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-methylphenyl]propane-2-sulfonamide?
The InChIKey is OBSMVXVKORLBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-10(2)20(18,19)17-13-5-4-12(8-11(13)3)9-14-15-6-7-16-14/h4-5,8,10,17H,6-7,9H2,1-3H3,(H,15,16).
What are the key properties of N-[4-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-methylphenyl]propane-2-sulfonamide?
N-[4-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-methylphenyl]propane-2-sulfonamide has a molecular weight of 295.41 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-methylphenyl]propane-2-sulfonamide is sourced from PubChem (CID 142822066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).