1-(3-chloro-2-methylphenyl)sulfonyl-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine

C16H21ClN4O2S — CID 90507151

IUPAC1-(3-chloro-2-methylphenyl)sulfonyl-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine
SMILESCc1n[nH]c(C)c1N1CCN(S(=O)(=O)c2cccc(Cl)c2C)CC1
InChIInChI=1S/C16H21ClN4O2S/c1-11-14(17)5-4-6-15(11)24(22,23)21-9-7-20(8-10-21)16-12(2)18-19-13(16)3/h4-6H,7-10H2,1-3H3,(H,18,19)
InChIKeyFBQMZOLNQIYHJN-UHFFFAOYSA-N
MW368.89 g/mol
LogP2.50
Rot. Bonds3

About 1-(3-chloro-2-methylphenyl)sulfonyl-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine

1-(3-chloro-2-methylphenyl)sulfonyl-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine (PubChem CID 90507151) has the molecular formula C16H21ClN4O2S and a molecular weight of 368.89 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)sulfonyl-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)sulfonyl-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine
PubChem CID90507151
Molecular FormulaC16H21ClN4O2S
Molecular Weight368.89 g/mol
Exact Mass368.11
IUPAC Name1-(3-chloro-2-methylphenyl)sulfonyl-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine
SMILESCc1n[nH]c(C)c1N1CCN(S(=O)(=O)c2cccc(Cl)c2C)CC1
InChIInChI=1S/C16H21ClN4O2S/c1-11-14(17)5-4-6-15(11)24(22,23)21-9-7-20(8-10-21)16-12(2)18-19-13(16)3/h4-6H,7-10H2,1-3H3,(H,18,19)
InChIKeyFBQMZOLNQIYHJN-UHFFFAOYSA-N
XLogP2.50
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.89
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-dichlorophenyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine
CID 113080467
1-(2,5-dimethylphenyl)sulfonyl-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine
CID 90507127
1-(3-chloro-2-methylphenyl)sulfonyl-4-phenylpiperazine
CID 11951648
1-(4-bromophenyl)sulfonyl-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine
CID 90507115
1-(2,5-dimethoxyphenyl)sulfonyl-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine
CID 90507124
1-(3-chloro-2-methylphenyl)sulfonyl-4-propan-2-ylpiperazine
CID 47203381
1-(2,3-dichlorophenyl)sulfonyl-4-(2,6-dimethylphenyl)piperazine
CID 6736955
[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 90506480
(3S)-1-(3-chloro-2-methylphenyl)sulfonyl-3-methylsulfonylpyrrolidine
CID 97354839
(3S)-3-[4-[4-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-3,5-dimethylpyrazol-1-yl]thiolane 1,1-dioxide
CID 94659124
(2R)-1-[4-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]propan-2-ol
CID 97039318
4-[4-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-pyrazol-1-ylpyrimidine
CID 122337856

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)sulfonyl-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine?
The IUPAC name of 1-(3-chloro-2-methylphenyl)sulfonyl-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine (CID 90507151) is 1-(3-chloro-2-methylphenyl)sulfonyl-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)sulfonyl-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)sulfonyl-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine is Cc1n[nH]c(C)c1N1CCN(S(=O)(=O)c2cccc(Cl)c2C)CC1.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)sulfonyl-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine?
The InChIKey is FBQMZOLNQIYHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4O2S/c1-11-14(17)5-4-6-15(11)24(22,23)21-9-7-20(8-10-21)16-12(2)18-19-13(16)3/h4-6H,7-10H2,1-3H3,(H,18,19).
What are the key properties of 1-(3-chloro-2-methylphenyl)sulfonyl-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine?
1-(3-chloro-2-methylphenyl)sulfonyl-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine has a molecular weight of 368.89 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylphenyl)sulfonyl-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine is sourced from PubChem (CID 90507151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).