N-(2,3-dimethylphenyl)-2-methyl-5-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]furan-3-sulfonamide

C21H24N4O4S — CID 53183070

IUPACN-(2,3-dimethylphenyl)-2-methyl-5-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]furan-3-sulfonamide
SMILESCc1cccc(NS(=O)(=O)c2cc(-c3[nH]ncc3C(=O)N3CCCC3)oc2C)c1C
InChIInChI=1S/C21H24N4O4S/c1-13-7-6-8-17(14(13)2)24-30(27,28)19-11-18(29-15(19)3)20-16(12-22-23-20)21(26)25-9-4-5-10-25/h6-8,11-12,24H,4-5,9-10H2,1-3H3,(H,22,23)
InChIKeyUUJIQEQWKRYDPC-UHFFFAOYSA-N
MW428.51 g/mol
LogP3.63
Rot. Bonds5

About N-(2,3-dimethylphenyl)-2-methyl-5-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]furan-3-sulfonamide

N-(2,3-dimethylphenyl)-2-methyl-5-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]furan-3-sulfonamide (PubChem CID 53183070) has the molecular formula C21H24N4O4S and a molecular weight of 428.51 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-methyl-5-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]furan-3-sulfonamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-methyl-5-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]furan-3-sulfonamide
PubChem CID53183070
Molecular FormulaC21H24N4O4S
Molecular Weight428.51 g/mol
Exact Mass428.15
IUPAC NameN-(2,3-dimethylphenyl)-2-methyl-5-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]furan-3-sulfonamide
SMILESCc1cccc(NS(=O)(=O)c2cc(-c3[nH]ncc3C(=O)N3CCCC3)oc2C)c1C
InChIInChI=1S/C21H24N4O4S/c1-13-7-6-8-17(14(13)2)24-30(27,28)19-11-18(29-15(19)3)20-16(12-22-23-20)21(26)25-9-4-5-10-25/h6-8,11-12,24H,4-5,9-10H2,1-3H3,(H,22,23)
InChIKeyUUJIQEQWKRYDPC-UHFFFAOYSA-N
XLogP3.63
TPSA108.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dimethylphenyl)-2-methyl-5-[4-(piperidine-1-carbonyl)-1H-pyrazol-5-yl]furan-3-sulfonamide
CID 53183136
2-methyl-N-[(2-methylphenyl)methyl]-5-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]furan-3-sulfonamide
CID 53183101
2-methyl-N-(4-methylphenyl)-5-[4-(piperidine-1-carbonyl)-1H-pyrazol-5-yl]furan-3-sulfonamide
CID 53183128
2-methyl-N-[(3-methylphenyl)methyl]-5-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]furan-3-sulfonamide
CID 53183108
N-[(3-fluorophenyl)methyl]-2-methyl-5-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]furan-3-sulfonamide
CID 53183099
N-(furan-2-ylmethyl)-2-methyl-5-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]furan-3-sulfonamide
CID 53183075
[5-[5-methyl-4-(4-methylpiperidin-1-yl)sulfonylfuran-2-yl]-1H-pyrazol-4-yl]-pyrrolidin-1-ylmethanone
CID 53183061
N-(2,3-dimethylphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 18108586
N-(3-chloro-2-methylphenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide
CID 53163413
N-(2,3-dimethylphenyl)-2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 20945178
1-N,3-N-bis(3-chloro-2-methylphenyl)-4-hydroxy-5-(pyrrolidine-1-carbonyl)benzene-1,3-disulfonamide
CID 145497981
5-[4-[(3,5-difluorophenyl)sulfamoyl]-5-methylfuran-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
CID 53183245

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-methyl-5-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]furan-3-sulfonamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-methyl-5-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]furan-3-sulfonamide (CID 53183070) is N-(2,3-dimethylphenyl)-2-methyl-5-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]furan-3-sulfonamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-methyl-5-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]furan-3-sulfonamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-methyl-5-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]furan-3-sulfonamide is Cc1cccc(NS(=O)(=O)c2cc(-c3[nH]ncc3C(=O)N3CCCC3)oc2C)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-methyl-5-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]furan-3-sulfonamide?
The InChIKey is UUJIQEQWKRYDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4S/c1-13-7-6-8-17(14(13)2)24-30(27,28)19-11-18(29-15(19)3)20-16(12-22-23-20)21(26)25-9-4-5-10-25/h6-8,11-12,24H,4-5,9-10H2,1-3H3,(H,22,23).
What are the key properties of N-(2,3-dimethylphenyl)-2-methyl-5-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]furan-3-sulfonamide?
N-(2,3-dimethylphenyl)-2-methyl-5-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]furan-3-sulfonamide has a molecular weight of 428.51 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-methyl-5-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]furan-3-sulfonamide is sourced from PubChem (CID 53183070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).