[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-(3,5-dimethylpyrazol-1-yl)methanone

C16H18ClN3O3S — CID 3243549

IUPAC[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-(3,5-dimethylpyrazol-1-yl)methanone
SMILESCc1cc(C)n(C(=O)C2CCCN2S(=O)(=O)c2ccc(Cl)cc2)n1
InChIInChI=1S/C16H18ClN3O3S/c1-11-10-12(2)20(18-11)16(21)15-4-3-9-19(15)24(22,23)14-7-5-13(17)6-8-14/h5-8,10,15H,3-4,9H2,1-2H3
InChIKeyMXDDUMHXOMXCTO-UHFFFAOYSA-N
MW367.86 g/mol
LogP2.65
Rot. Bonds3

About [1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-(3,5-dimethylpyrazol-1-yl)methanone

[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-(3,5-dimethylpyrazol-1-yl)methanone (PubChem CID 3243549) has the molecular formula C16H18ClN3O3S and a molecular weight of 367.86 g/mol. Its IUPAC name is [1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-(3,5-dimethylpyrazol-1-yl)methanone.

Molecular Properties

Compound Name[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-(3,5-dimethylpyrazol-1-yl)methanone
PubChem CID3243549
Molecular FormulaC16H18ClN3O3S
Molecular Weight367.86 g/mol
Exact Mass367.08
IUPAC Name[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-(3,5-dimethylpyrazol-1-yl)methanone
SMILESCc1cc(C)n(C(=O)C2CCCN2S(=O)(=O)c2ccc(Cl)cc2)n1
InChIInChI=1S/C16H18ClN3O3S/c1-11-10-12(2)20(18-11)16(21)15-4-3-9-19(15)24(22,23)14-7-5-13(17)6-8-14/h5-8,10,15H,3-4,9H2,1-2H3
InChIKeyMXDDUMHXOMXCTO-UHFFFAOYSA-N
XLogP2.65
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.86
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethyl-1-({1-[(4-methylphenyl)sulfonyl]pyrrolidin-2-yl}carbonyl)-1H-pyrazole
CID 3244073
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide
CID 24408582
(3,5-Dimethylpyrazol-1-yl)-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]methanone
CID 22331205
4-chlorophenyl 3,5-dimethyl-1-({1-[(4-methylphenyl)sulfonyl]-2-pyrrolidinyl}carbonyl)-1H-pyrazol-4-yl sulfide
CID 5190637
(3,5-dimethyl-1H-pyrazol-1-yl)[1-(phenylsulfonyl)pyrrolidin-2-yl]methanone
CID 3373140
{1-[(4-bromophenyl)sulfonyl]pyrrolidin-2-yl}(3,5-dimethyl-1H-pyrazol-1-yl)methanone
CID 5144412
3,5-dimethyl-1-((phenylsulfonyl)prolyl)-4-(phenylthio)-1H-pyrazole
CID 6620730
1-[4-(4-chlorobenzenesulfonyl)piperazin-1-yl]-3-(3,5-dimethyl-1H-pyrazol-1-yl)butan-1-one
CID 16812327
1-[1-(Benzenesulfonyl)pyrrolidine-2-carbonyl]-4-[(4-chlorophenyl)sulfanyl]-3,5-dimethyl-1H-pyrazole
CID 22331204
1-((4-chlorophenyl)sulfonyl)-N-(1,3-dimethyl-1H-pyrazol-5-yl)pyrrolidine-2-carboxamide
CID 44051543
1-((4-chlorophenyl)sulfonyl)-N-(1-isopropyl-3-methyl-1H-pyrazol-5-yl)pyrrolidine-2-carboxamide
CID 44051562
[1-(4-Chlorophenyl)sulfonylpyrrolidin-2-yl]-[3,5-dimethyl-4-(4-nitrophenyl)sulfanylpyrazol-1-yl]methanone
CID 4393451

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-(3,5-dimethylpyrazol-1-yl)methanone?
The IUPAC name of [1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-(3,5-dimethylpyrazol-1-yl)methanone (CID 3243549) is [1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-(3,5-dimethylpyrazol-1-yl)methanone.
What is the SMILES notation for [1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-(3,5-dimethylpyrazol-1-yl)methanone?
The canonical SMILES for [1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-(3,5-dimethylpyrazol-1-yl)methanone is Cc1cc(C)n(C(=O)C2CCCN2S(=O)(=O)c2ccc(Cl)cc2)n1.
What is the InChIKey of [1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-(3,5-dimethylpyrazol-1-yl)methanone?
The InChIKey is MXDDUMHXOMXCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O3S/c1-11-10-12(2)20(18-11)16(21)15-4-3-9-19(15)24(22,23)14-7-5-13(17)6-8-14/h5-8,10,15H,3-4,9H2,1-2H3.
What are the key properties of [1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-(3,5-dimethylpyrazol-1-yl)methanone?
[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-(3,5-dimethylpyrazol-1-yl)methanone has a molecular weight of 367.86 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-(3,5-dimethylpyrazol-1-yl)methanone is sourced from PubChem (CID 3243549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).