N-[1-[(4-chlorophenyl)methyl]-4,5-dihydroimidazol-2-yl]ethanesulfonamide

C12H16ClN3O2S — CID 134093433

IUPACN-[1-[(4-chlorophenyl)methyl]-4,5-dihydroimidazol-2-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1=NCCN1Cc1ccc(Cl)cc1
InChIInChI=1S/C12H16ClN3O2S/c1-2-19(17,18)15-12-14-7-8-16(12)9-10-3-5-11(13)6-4-10/h3-6H,2,7-9H2,1H3,(H,14,15)
InChIKeyMRZWTTGCHPLZGL-UHFFFAOYSA-N
MW301.80 g/mol
LogP1.45
Rot. Bonds4

About N-[1-[(4-chlorophenyl)methyl]-4,5-dihydroimidazol-2-yl]ethanesulfonamide

N-[1-[(4-chlorophenyl)methyl]-4,5-dihydroimidazol-2-yl]ethanesulfonamide (PubChem CID 134093433) has the molecular formula C12H16ClN3O2S and a molecular weight of 301.80 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methyl]-4,5-dihydroimidazol-2-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[1-[(4-chlorophenyl)methyl]-4,5-dihydroimidazol-2-yl]ethanesulfonamide
PubChem CID134093433
Molecular FormulaC12H16ClN3O2S
Molecular Weight301.80 g/mol
Exact Mass301.07
IUPAC NameN-[1-[(4-chlorophenyl)methyl]-4,5-dihydroimidazol-2-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1=NCCN1Cc1ccc(Cl)cc1
InChIInChI=1S/C12H16ClN3O2S/c1-2-19(17,18)15-12-14-7-8-16(12)9-10-3-5-11(13)6-4-10/h3-6H,2,7-9H2,1H3,(H,14,15)
InChIKeyMRZWTTGCHPLZGL-UHFFFAOYSA-N
XLogP1.45
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.80
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chlorophenyl)methyl]-4,5-dihydroimidazol-2-yl]ethanesulfonamide?
The IUPAC name of N-[1-[(4-chlorophenyl)methyl]-4,5-dihydroimidazol-2-yl]ethanesulfonamide (CID 134093433) is N-[1-[(4-chlorophenyl)methyl]-4,5-dihydroimidazol-2-yl]ethanesulfonamide.
What is the SMILES notation for N-[1-[(4-chlorophenyl)methyl]-4,5-dihydroimidazol-2-yl]ethanesulfonamide?
The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]-4,5-dihydroimidazol-2-yl]ethanesulfonamide is CCS(=O)(=O)NC1=NCCN1Cc1ccc(Cl)cc1.
What is the InChIKey of N-[1-[(4-chlorophenyl)methyl]-4,5-dihydroimidazol-2-yl]ethanesulfonamide?
The InChIKey is MRZWTTGCHPLZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O2S/c1-2-19(17,18)15-12-14-7-8-16(12)9-10-3-5-11(13)6-4-10/h3-6H,2,7-9H2,1H3,(H,14,15).
What are the key properties of N-[1-[(4-chlorophenyl)methyl]-4,5-dihydroimidazol-2-yl]ethanesulfonamide?
N-[1-[(4-chlorophenyl)methyl]-4,5-dihydroimidazol-2-yl]ethanesulfonamide has a molecular weight of 301.80 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-chlorophenyl)methyl]-4,5-dihydroimidazol-2-yl]ethanesulfonamide is sourced from PubChem (CID 134093433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).