N-[(3S)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide

C16H19ClN4O3S — CID 25377158

IUPACN-[(3S)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)N[C@H]1CC(=O)N(Cc2ccccc2Cl)C1
InChIInChI=1S/C16H19ClN4O3S/c1-10-16(11(2)19-18-10)25(23,24)20-13-7-15(22)21(9-13)8-12-5-3-4-6-14(12)17/h3-6,13,20H,7-9H2,1-2H3,(H,18,19)/t13-/m0/s1
InChIKeyDCLKNVGLBDTUOB-ZDUSSCGKSA-N
MW382.87 g/mol
LogP1.76
Rot. Bonds5

About N-[(3S)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide

N-[(3S)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 25377158) has the molecular formula C16H19ClN4O3S and a molecular weight of 382.87 g/mol. Its IUPAC name is N-[(3S)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(3S)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID25377158
Molecular FormulaC16H19ClN4O3S
Molecular Weight382.87 g/mol
Exact Mass382.09
IUPAC NameN-[(3S)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)N[C@H]1CC(=O)N(Cc2ccccc2Cl)C1
InChIInChI=1S/C16H19ClN4O3S/c1-10-16(11(2)19-18-10)25(23,24)20-13-7-15(22)21(9-13)8-12-5-3-4-6-14(12)17/h3-6,13,20H,7-9H2,1-2H3,(H,18,19)/t13-/m0/s1
InChIKeyDCLKNVGLBDTUOB-ZDUSSCGKSA-N
XLogP1.76
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.87
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethyl-N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]-1H-pyrazole-4-sulfonamide
CID 45203503
N-(2,3-dihydro-1H-inden-2-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 104693811
1-[(2-chlorophenyl)methyl]-4-[(1-methylpiperidin-4-yl)amino]pyrrolidin-2-one
CID 45205641
4-[(2-amino-6-methylpyrimidin-4-yl)amino]-1-[(2-chlorophenyl)methyl]pyrrolidin-2-one
CID 56894935
3,5-dimethyl-N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-sulfonamide
CID 110640246
3,5-dimethyl-N-(1-phenylpiperidin-4-yl)-1H-pyrazole-4-sulfonamide
CID 110735903
N-[(3S)-5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]ethanesulfonamide
CID 42095587
(4S)-1-[(2-chlorophenyl)methyl]-4-[(2-methyl-5-propylpyrimidin-4-yl)amino]pyrrolidin-2-one
CID 95708688
N-[(2-ethylphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 64696182
N-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 45226916
N-[(3S)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]but-3-enamide
CID 42395266
N-[(3S)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 42394735

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[(3S)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 25377158) is N-[(3S)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[(3S)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[(3S)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)N[C@H]1CC(=O)N(Cc2ccccc2Cl)C1.
What is the InChIKey of N-[(3S)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is DCLKNVGLBDTUOB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H19ClN4O3S/c1-10-16(11(2)19-18-10)25(23,24)20-13-7-15(22)21(9-13)8-12-5-3-4-6-14(12)17/h3-6,13,20H,7-9H2,1-2H3,(H,18,19)/t13-/m0/s1.
What are the key properties of N-[(3S)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
N-[(3S)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 382.87 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 25377158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).