N,N-dimethyl-2-(2-methyl-5-oxo-1H-pyrazole-3-carbonyl)-1,3-dihydroisoindole-5-sulfonamide

C15H18N4O4S — CID 155957457

IUPACN,N-dimethyl-2-(2-methyl-5-oxo-1H-pyrazole-3-carbonyl)-1,3-dihydroisoindole-5-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)CN(C(=O)c1cc(=O)[nH]n1C)C2
InChIInChI=1S/C15H18N4O4S/c1-17(2)24(22,23)12-5-4-10-8-19(9-11(10)6-12)15(21)13-7-14(20)16-18(13)3/h4-7H,8-9H2,1-3H3,(H,16,20)
InChIKeyMANJDBIOVXKYLX-UHFFFAOYSA-N
MW350.40 g/mol
LogP0.12
Rot. Bonds3

About N,N-dimethyl-2-(2-methyl-5-oxo-1H-pyrazole-3-carbonyl)-1,3-dihydroisoindole-5-sulfonamide

N,N-dimethyl-2-(2-methyl-5-oxo-1H-pyrazole-3-carbonyl)-1,3-dihydroisoindole-5-sulfonamide (PubChem CID 155957457) has the molecular formula C15H18N4O4S and a molecular weight of 350.40 g/mol. Its IUPAC name is N,N-dimethyl-2-(2-methyl-5-oxo-1H-pyrazole-3-carbonyl)-1,3-dihydroisoindole-5-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(2-methyl-5-oxo-1H-pyrazole-3-carbonyl)-1,3-dihydroisoindole-5-sulfonamide
PubChem CID155957457
Molecular FormulaC15H18N4O4S
Molecular Weight350.40 g/mol
Exact Mass350.10
IUPAC NameN,N-dimethyl-2-(2-methyl-5-oxo-1H-pyrazole-3-carbonyl)-1,3-dihydroisoindole-5-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)CN(C(=O)c1cc(=O)[nH]n1C)C2
InChIInChI=1S/C15H18N4O4S/c1-17(2)24(22,23)12-5-4-10-8-19(9-11(10)6-12)15(21)13-7-14(20)16-18(13)3/h4-7H,8-9H2,1-3H3,(H,16,20)
InChIKeyMANJDBIOVXKYLX-UHFFFAOYSA-N
XLogP0.12
TPSA95.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(2-methyl-5-oxo-1H-pyrazole-3-carbonyl)-1,3-dihydroisoindole-5-sulfonamide?
The IUPAC name of N,N-dimethyl-2-(2-methyl-5-oxo-1H-pyrazole-3-carbonyl)-1,3-dihydroisoindole-5-sulfonamide (CID 155957457) is N,N-dimethyl-2-(2-methyl-5-oxo-1H-pyrazole-3-carbonyl)-1,3-dihydroisoindole-5-sulfonamide.
What is the SMILES notation for N,N-dimethyl-2-(2-methyl-5-oxo-1H-pyrazole-3-carbonyl)-1,3-dihydroisoindole-5-sulfonamide?
The canonical SMILES for N,N-dimethyl-2-(2-methyl-5-oxo-1H-pyrazole-3-carbonyl)-1,3-dihydroisoindole-5-sulfonamide is CN(C)S(=O)(=O)c1ccc2c(c1)CN(C(=O)c1cc(=O)[nH]n1C)C2.
What is the InChIKey of N,N-dimethyl-2-(2-methyl-5-oxo-1H-pyrazole-3-carbonyl)-1,3-dihydroisoindole-5-sulfonamide?
The InChIKey is MANJDBIOVXKYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O4S/c1-17(2)24(22,23)12-5-4-10-8-19(9-11(10)6-12)15(21)13-7-14(20)16-18(13)3/h4-7H,8-9H2,1-3H3,(H,16,20).
What are the key properties of N,N-dimethyl-2-(2-methyl-5-oxo-1H-pyrazole-3-carbonyl)-1,3-dihydroisoindole-5-sulfonamide?
N,N-dimethyl-2-(2-methyl-5-oxo-1H-pyrazole-3-carbonyl)-1,3-dihydroisoindole-5-sulfonamide has a molecular weight of 350.40 g/mol, XLogP of 0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(2-methyl-5-oxo-1H-pyrazole-3-carbonyl)-1,3-dihydroisoindole-5-sulfonamide is sourced from PubChem (CID 155957457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).