1-(5-chloro-2-methylphenyl)-4-(1H-imidazol-5-ylsulfonyl)piperazine

C14H17ClN4O2S — CID 5307520

IUPAC1-(5-chloro-2-methylphenyl)-4-(1H-imidazol-5-ylsulfonyl)piperazine
SMILESCc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2cnc[nH]2)CC1
InChIInChI=1S/C14H17ClN4O2S/c1-11-2-3-12(15)8-13(11)18-4-6-19(7-5-18)22(20,21)14-9-16-10-17-14/h2-3,8-10H,4-7H2,1H3,(H,16,17)
InChIKeyFWUPWBJHMSKKIU-UHFFFAOYSA-N
MW340.84 g/mol
LogP1.88
Rot. Bonds3

About 1-(5-chloro-2-methylphenyl)-4-(1H-imidazol-5-ylsulfonyl)piperazine

1-(5-chloro-2-methylphenyl)-4-(1H-imidazol-5-ylsulfonyl)piperazine (PubChem CID 5307520) has the molecular formula C14H17ClN4O2S and a molecular weight of 340.84 g/mol. Its IUPAC name is 1-(5-chloro-2-methylphenyl)-4-(1H-imidazol-5-ylsulfonyl)piperazine.

Molecular Properties

Compound Name1-(5-chloro-2-methylphenyl)-4-(1H-imidazol-5-ylsulfonyl)piperazine
PubChem CID5307520
Molecular FormulaC14H17ClN4O2S
Molecular Weight340.84 g/mol
Exact Mass340.08
IUPAC Name1-(5-chloro-2-methylphenyl)-4-(1H-imidazol-5-ylsulfonyl)piperazine
SMILESCc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2cnc[nH]2)CC1
InChIInChI=1S/C14H17ClN4O2S/c1-11-2-3-12(15)8-13(11)18-4-6-19(7-5-18)22(20,21)14-9-16-10-17-14/h2-3,8-10H,4-7H2,1H3,(H,16,17)
InChIKeyFWUPWBJHMSKKIU-UHFFFAOYSA-N
XLogP1.88
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.84
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1H-imidazol-5-ylsulfonyl)-4-phenylpiperazine
CID 11957294
N-(3-chlorophenyl)-4-(4-fluorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-amine
CID 90404585
N-(3-chlorophenyl)-4-(2-fluorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-amine
CID 90405229
N-(3-chlorophenyl)-4-(3-fluorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-amine
CID 90405719
(E)-1-(4-(3-((1H-imidazol-1-yl)methyl)-5-chlorostyryl)phenyl)-4-(1H-imidazol-4-ylsulfonyl)piperazine
CID 121481842
1-(1H-imidazol-4-ylsulfonyl)indoline
CID 3238261
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[1-(1H-imidazol-5-ylsulfonyl)piperidin-3-yl]methanone
CID 5308686
N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-1-(1H-imidazol-4-ylsulfonyl)piperidine-3-carboxamide
CID 5309184
N-(3-Chloro-2-methylphenyl)-2-[4-(pyrrolidine-1-sulfonyl)-1H-imidazol-1-YL]acetamide
CID 16027143
4-Chloro-N-(4-chloro-benzyl)-N-[4-(1H-imidazol-4-yl)-butyl]-benzenesulfonamide
CID 44308603
N-(4-chlorobenzyl)-1H-imidazole-4-sulfonamide
CID 3245048
(3R,4S)-N-(3-chloro-4-fluorophenyl)-4-(4-fluorophenyl)-1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]pyrrolidin-3-amine
CID 86295654

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylphenyl)-4-(1H-imidazol-5-ylsulfonyl)piperazine?
The IUPAC name of 1-(5-chloro-2-methylphenyl)-4-(1H-imidazol-5-ylsulfonyl)piperazine (CID 5307520) is 1-(5-chloro-2-methylphenyl)-4-(1H-imidazol-5-ylsulfonyl)piperazine.
What is the SMILES notation for 1-(5-chloro-2-methylphenyl)-4-(1H-imidazol-5-ylsulfonyl)piperazine?
The canonical SMILES for 1-(5-chloro-2-methylphenyl)-4-(1H-imidazol-5-ylsulfonyl)piperazine is Cc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2cnc[nH]2)CC1.
What is the InChIKey of 1-(5-chloro-2-methylphenyl)-4-(1H-imidazol-5-ylsulfonyl)piperazine?
The InChIKey is FWUPWBJHMSKKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O2S/c1-11-2-3-12(15)8-13(11)18-4-6-19(7-5-18)22(20,21)14-9-16-10-17-14/h2-3,8-10H,4-7H2,1H3,(H,16,17).
What are the key properties of 1-(5-chloro-2-methylphenyl)-4-(1H-imidazol-5-ylsulfonyl)piperazine?
1-(5-chloro-2-methylphenyl)-4-(1H-imidazol-5-ylsulfonyl)piperazine has a molecular weight of 340.84 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methylphenyl)-4-(1H-imidazol-5-ylsulfonyl)piperazine is sourced from PubChem (CID 5307520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).