[(2R)-1-[1-(4-methylphenyl)pyrazol-4-yl]sulfonylpyrrolidin-2-yl]methanesulfonamide

C15H20N4O4S2 — CID 97257956

IUPAC[(2R)-1-[1-(4-methylphenyl)pyrazol-4-yl]sulfonylpyrrolidin-2-yl]methanesulfonamide
SMILESCc1ccc(-n2cc(S(=O)(=O)N3CCC[C@@H]3CS(N)(=O)=O)cn2)cc1
InChIInChI=1S/C15H20N4O4S2/c1-12-4-6-13(7-5-12)18-10-15(9-17-18)25(22,23)19-8-2-3-14(19)11-24(16,20)21/h4-7,9-10,14H,2-3,8,11H2,1H3,(H2,16,20,21)/t14-/m1/s1
InChIKeyOMGUSVGWBYULII-CQSZACIVSA-N
MW384.48 g/mol
LogP0.62
Rot. Bonds5

About [(2R)-1-[1-(4-methylphenyl)pyrazol-4-yl]sulfonylpyrrolidin-2-yl]methanesulfonamide

[(2R)-1-[1-(4-methylphenyl)pyrazol-4-yl]sulfonylpyrrolidin-2-yl]methanesulfonamide (PubChem CID 97257956) has the molecular formula C15H20N4O4S2 and a molecular weight of 384.48 g/mol. Its IUPAC name is [(2R)-1-[1-(4-methylphenyl)pyrazol-4-yl]sulfonylpyrrolidin-2-yl]methanesulfonamide.

Molecular Properties

Compound Name[(2R)-1-[1-(4-methylphenyl)pyrazol-4-yl]sulfonylpyrrolidin-2-yl]methanesulfonamide
PubChem CID97257956
Molecular FormulaC15H20N4O4S2
Molecular Weight384.48 g/mol
Exact Mass384.09
IUPAC Name[(2R)-1-[1-(4-methylphenyl)pyrazol-4-yl]sulfonylpyrrolidin-2-yl]methanesulfonamide
SMILESCc1ccc(-n2cc(S(=O)(=O)N3CCC[C@@H]3CS(N)(=O)=O)cn2)cc1
InChIInChI=1S/C15H20N4O4S2/c1-12-4-6-13(7-5-12)18-10-15(9-17-18)25(22,23)19-8-2-3-14(19)11-24(16,20)21/h4-7,9-10,14H,2-3,8,11H2,1H3,(H2,16,20,21)/t14-/m1/s1
InChIKeyOMGUSVGWBYULII-CQSZACIVSA-N
XLogP0.62
TPSA115.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-1-[1-[1-(4-methylphenyl)pyrazol-4-yl]sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119990922
N-methyl-1-[1-(1-phenylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119991320
(2S,4R)-2-methyl-1-[1-(4-methylphenyl)pyrazol-4-yl]sulfonylpiperidin-4-amine
CID 124694947
[1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-2-yl]methanamine;hydrochloride
CID 119969606
4-amino-1-[[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]pyrimidin-2-one
CID 139749526
3-methyl-1-[1-(4-methylphenyl)pyrazol-4-yl]sulfonylpiperazine;hydrochloride
CID 119981903
1-[1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-2-yl]propan-1-one
CID 166221559
2-ethyl-1-(3-methylphenyl)sulfonylpyrrolidine
CID 110604689
(2R)-2-butyl-1-(4-methylphenyl)sulfonylpyrrolidine
CID 101030218
2-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]ethyl 4-methylbenzenesulfonate
CID 59042580
(2S)-1-(4-methylphenyl)sulfonyl-2-[2-[2-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]ethoxymethoxy]ethyl]pyrrolidine
CID 171349964
1-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-4-sulfonamide
CID 95344226

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[1-(4-methylphenyl)pyrazol-4-yl]sulfonylpyrrolidin-2-yl]methanesulfonamide?
The IUPAC name of [(2R)-1-[1-(4-methylphenyl)pyrazol-4-yl]sulfonylpyrrolidin-2-yl]methanesulfonamide (CID 97257956) is [(2R)-1-[1-(4-methylphenyl)pyrazol-4-yl]sulfonylpyrrolidin-2-yl]methanesulfonamide.
What is the SMILES notation for [(2R)-1-[1-(4-methylphenyl)pyrazol-4-yl]sulfonylpyrrolidin-2-yl]methanesulfonamide?
The canonical SMILES for [(2R)-1-[1-(4-methylphenyl)pyrazol-4-yl]sulfonylpyrrolidin-2-yl]methanesulfonamide is Cc1ccc(-n2cc(S(=O)(=O)N3CCC[C@@H]3CS(N)(=O)=O)cn2)cc1.
What is the InChIKey of [(2R)-1-[1-(4-methylphenyl)pyrazol-4-yl]sulfonylpyrrolidin-2-yl]methanesulfonamide?
The InChIKey is OMGUSVGWBYULII-CQSZACIVSA-N. The full InChI is InChI=1S/C15H20N4O4S2/c1-12-4-6-13(7-5-12)18-10-15(9-17-18)25(22,23)19-8-2-3-14(19)11-24(16,20)21/h4-7,9-10,14H,2-3,8,11H2,1H3,(H2,16,20,21)/t14-/m1/s1.
What are the key properties of [(2R)-1-[1-(4-methylphenyl)pyrazol-4-yl]sulfonylpyrrolidin-2-yl]methanesulfonamide?
[(2R)-1-[1-(4-methylphenyl)pyrazol-4-yl]sulfonylpyrrolidin-2-yl]methanesulfonamide has a molecular weight of 384.48 g/mol, XLogP of 0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[1-(4-methylphenyl)pyrazol-4-yl]sulfonylpyrrolidin-2-yl]methanesulfonamide is sourced from PubChem (CID 97257956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).