1-(4-chlorophenyl)-N-[4-(1H-imidazol-5-yl)phenyl]methanesulfonamide

C16H14ClN3O2S — CID 22081061

IUPAC1-(4-chlorophenyl)-N-[4-(1H-imidazol-5-yl)phenyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(Cl)cc1)Nc1ccc(-c2cnc[nH]2)cc1
InChIInChI=1S/C16H14ClN3O2S/c17-14-5-1-12(2-6-14)10-23(21,22)20-15-7-3-13(4-8-15)16-9-18-11-19-16/h1-9,11,20H,10H2,(H,18,19)
InChIKeyPPAAIKLRWLPJOX-UHFFFAOYSA-N
MW347.83 g/mol
LogP3.67
Rot. Bonds5

About 1-(4-chlorophenyl)-N-[4-(1H-imidazol-5-yl)phenyl]methanesulfonamide

1-(4-chlorophenyl)-N-[4-(1H-imidazol-5-yl)phenyl]methanesulfonamide (PubChem CID 22081061) has the molecular formula C16H14ClN3O2S and a molecular weight of 347.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[4-(1H-imidazol-5-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[4-(1H-imidazol-5-yl)phenyl]methanesulfonamide
PubChem CID22081061
Molecular FormulaC16H14ClN3O2S
Molecular Weight347.83 g/mol
Exact Mass347.05
IUPAC Name1-(4-chlorophenyl)-N-[4-(1H-imidazol-5-yl)phenyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(Cl)cc1)Nc1ccc(-c2cnc[nH]2)cc1
InChIInChI=1S/C16H14ClN3O2S/c17-14-5-1-12(2-6-14)10-23(21,22)20-15-7-3-13(4-8-15)16-9-18-11-19-16/h1-9,11,20H,10H2,(H,18,19)
InChIKeyPPAAIKLRWLPJOX-UHFFFAOYSA-N
XLogP3.67
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.83
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-Chlorophenyl)Imidazole
CID 448632
N-[3-(Cyclohexylidene-1H-imidazol-5-ylmethyl)phenyl]ethanesulfonamide
CID 6603710
BU-E 47
CID 14660352
3-(1H-Imidazol-5-yl)propyl N'-(4-chlorobenzyl)-N-cyclohexylcarbamimidothioate
CID 10023327
5-(4-chlorophenyl)-2-(methylsulfanyl)-1H-imidazole
CID 2743615
Abt-866
CID 9838192
[3-(4-Chloro-phenyl)-3-pyridin-2-yl-propyl]-[4-(1H-imidazol-4-yl)-butyl]-amine
CID 9947477
N-[1-(4-chlorophenyl)propyl]-1-methyl-5-phenylimidazol-2-amine
CID 10042024
N-(4-Chloro-benzyl)-4-(1H-imidazol-4-ylmethyl)-benzamidine
CID 10087654
N-[3-chloro-5-(1H-imidazol-5-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]ethanesulfonamide
CID 10132012
[3-(4-Chloro-phenyl)-3-pyridin-2-yl-propyl]-[3-(1H-imidazol-4-yl)-propyl]-amine
CID 23562971
N-[3-[2-cyclopropyl-5-[2-(methylamino)pyrimidin-4-yl]-1H-imidazol-4-yl]phenyl]-1-(3,4-dichlorophenyl)methanesulfonamide
CID 44448334

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[4-(1H-imidazol-5-yl)phenyl]methanesulfonamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[4-(1H-imidazol-5-yl)phenyl]methanesulfonamide (CID 22081061) is 1-(4-chlorophenyl)-N-[4-(1H-imidazol-5-yl)phenyl]methanesulfonamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[4-(1H-imidazol-5-yl)phenyl]methanesulfonamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[4-(1H-imidazol-5-yl)phenyl]methanesulfonamide is O=S(=O)(Cc1ccc(Cl)cc1)Nc1ccc(-c2cnc[nH]2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[4-(1H-imidazol-5-yl)phenyl]methanesulfonamide?
The InChIKey is PPAAIKLRWLPJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O2S/c17-14-5-1-12(2-6-14)10-23(21,22)20-15-7-3-13(4-8-15)16-9-18-11-19-16/h1-9,11,20H,10H2,(H,18,19).
What are the key properties of 1-(4-chlorophenyl)-N-[4-(1H-imidazol-5-yl)phenyl]methanesulfonamide?
1-(4-chlorophenyl)-N-[4-(1H-imidazol-5-yl)phenyl]methanesulfonamide has a molecular weight of 347.83 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[4-(1H-imidazol-5-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 22081061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).