N-[[3-(3-benzyl-5-oxopyrrolidin-3-yl)phenyl]methyl]-1-methylpyrazole-4-sulfonamide

C22H24N4O3S — CID 56836105

IUPACN-[[3-(3-benzyl-5-oxopyrrolidin-3-yl)phenyl]methyl]-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NCc2cccc(C3(Cc4ccccc4)CNC(=O)C3)c2)cn1
InChIInChI=1S/C22H24N4O3S/c1-26-15-20(14-24-26)30(28,29)25-13-18-8-5-9-19(10-18)22(12-21(27)23-16-22)11-17-6-3-2-4-7-17/h2-10,14-15,25H,11-13,16H2,1H3,(H,23,27)
InChIKeyGJNGATNTYBDWQM-UHFFFAOYSA-N
MW424.53 g/mol
LogP1.90
Rot. Bonds7

About N-[[3-(3-benzyl-5-oxopyrrolidin-3-yl)phenyl]methyl]-1-methylpyrazole-4-sulfonamide

N-[[3-(3-benzyl-5-oxopyrrolidin-3-yl)phenyl]methyl]-1-methylpyrazole-4-sulfonamide (PubChem CID 56836105) has the molecular formula C22H24N4O3S and a molecular weight of 424.53 g/mol. Its IUPAC name is N-[[3-(3-benzyl-5-oxopyrrolidin-3-yl)phenyl]methyl]-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[[3-(3-benzyl-5-oxopyrrolidin-3-yl)phenyl]methyl]-1-methylpyrazole-4-sulfonamide
PubChem CID56836105
Molecular FormulaC22H24N4O3S
Molecular Weight424.53 g/mol
Exact Mass424.16
IUPAC NameN-[[3-(3-benzyl-5-oxopyrrolidin-3-yl)phenyl]methyl]-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NCc2cccc(C3(Cc4ccccc4)CNC(=O)C3)c2)cn1
InChIInChI=1S/C22H24N4O3S/c1-26-15-20(14-24-26)30(28,29)25-13-18-8-5-9-19(10-18)22(12-21(27)23-16-22)11-17-6-3-2-4-7-17/h2-10,14-15,25H,11-13,16H2,1H3,(H,23,27)
InChIKeyGJNGATNTYBDWQM-UHFFFAOYSA-N
XLogP1.90
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-1H-pyrazole-4-sulfonic acid 3-(3-benzyl-pyrrolidin-3-yl)benzylamide
CID 56836106
1-Methyl-1H-pyrazole-4-sulfonic acid 3-(3-benzyl-1-methyl-pyrrolidin-3-yl)-benzylamide
CID 56836167
N-[[3-(1-amino-3-phenylpropan-2-yl)phenyl]methyl]-1-methylpyrazole-4-sulfonamide
CID 56836670
N-[[3-[1-(dimethylamino)-3-phenylpropan-2-yl]phenyl]methyl]-1-methylpyrazole-4-sulfonamide
CID 56836751
2-[3-[[(1-Methylpyrazol-4-yl)sulfonylamino]methyl]phenyl]-3-phenylpropanamide
CID 56836596
N-(1-methylpyrazol-4-yl)sulfonyl-1-phenylcyclobutane-1-carboxamide
CID 51086103
1-(3-methylphenyl)-N-(1-methylpyrazol-4-yl)sulfonylcyclopentane-1-carboxamide
CID 56823727
1-ethyl-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]-1H-pyrazole-4-sulfonamide
CID 110200304
4-(aminosulfonyl)-N-[(1-benzyl-1H-pyrazol-4-yl)methyl]benzamide
CID 28766410
2-(benzenesulfonyl)-N-(3-pyrazol-1-ylpropyl)-2-azaspiro[4.5]decane-4-carboxamide
CID 53183491
N~4~-[3-(1H-pyrazol-1-yl)propyl]-2-(3-pyridylsulfonyl)-2-azaspiro[4.5]decane-4-carboxamide
CID 53183540
N-[(1-methyl-1H-pyrazol-4-yl)methyl]-4-{[(3R)-3-pyrrolidinylamino]sulfonyl}benzamide
CID 70760127

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-benzyl-5-oxopyrrolidin-3-yl)phenyl]methyl]-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-[[3-(3-benzyl-5-oxopyrrolidin-3-yl)phenyl]methyl]-1-methylpyrazole-4-sulfonamide (CID 56836105) is N-[[3-(3-benzyl-5-oxopyrrolidin-3-yl)phenyl]methyl]-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[[3-(3-benzyl-5-oxopyrrolidin-3-yl)phenyl]methyl]-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-[[3-(3-benzyl-5-oxopyrrolidin-3-yl)phenyl]methyl]-1-methylpyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)NCc2cccc(C3(Cc4ccccc4)CNC(=O)C3)c2)cn1.
What is the InChIKey of N-[[3-(3-benzyl-5-oxopyrrolidin-3-yl)phenyl]methyl]-1-methylpyrazole-4-sulfonamide?
The InChIKey is GJNGATNTYBDWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3S/c1-26-15-20(14-24-26)30(28,29)25-13-18-8-5-9-19(10-18)22(12-21(27)23-16-22)11-17-6-3-2-4-7-17/h2-10,14-15,25H,11-13,16H2,1H3,(H,23,27).
What are the key properties of N-[[3-(3-benzyl-5-oxopyrrolidin-3-yl)phenyl]methyl]-1-methylpyrazole-4-sulfonamide?
N-[[3-(3-benzyl-5-oxopyrrolidin-3-yl)phenyl]methyl]-1-methylpyrazole-4-sulfonamide has a molecular weight of 424.53 g/mol, XLogP of 1.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-benzyl-5-oxopyrrolidin-3-yl)phenyl]methyl]-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 56836105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).