N-[2-(5-amino-4-cyanopyrazol-1-yl)phenyl]-4,5-dimethoxy-2-methylbenzenesulfonamide

C19H19N5O4S — CID 39837730

IUPACN-[2-(5-amino-4-cyanopyrazol-1-yl)phenyl]-4,5-dimethoxy-2-methylbenzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)Nc2ccccc2-n2ncc(C#N)c2N)cc1OC
InChIInChI=1S/C19H19N5O4S/c1-12-8-16(27-2)17(28-3)9-18(12)29(25,26)23-14-6-4-5-7-15(14)24-19(21)13(10-20)11-22-24/h4-9,11,23H,21H2,1-3H3
InChIKeyREIWSNUDAOYVMQ-UHFFFAOYSA-N
MW413.46 g/mol
LogP2.45
Rot. Bonds6

About N-[2-(5-amino-4-cyanopyrazol-1-yl)phenyl]-4,5-dimethoxy-2-methylbenzenesulfonamide

N-[2-(5-amino-4-cyanopyrazol-1-yl)phenyl]-4,5-dimethoxy-2-methylbenzenesulfonamide (PubChem CID 39837730) has the molecular formula C19H19N5O4S and a molecular weight of 413.46 g/mol. Its IUPAC name is N-[2-(5-amino-4-cyanopyrazol-1-yl)phenyl]-4,5-dimethoxy-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(5-amino-4-cyanopyrazol-1-yl)phenyl]-4,5-dimethoxy-2-methylbenzenesulfonamide
PubChem CID39837730
Molecular FormulaC19H19N5O4S
Molecular Weight413.46 g/mol
Exact Mass413.12
IUPAC NameN-[2-(5-amino-4-cyanopyrazol-1-yl)phenyl]-4,5-dimethoxy-2-methylbenzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)Nc2ccccc2-n2ncc(C#N)c2N)cc1OC
InChIInChI=1S/C19H19N5O4S/c1-12-8-16(27-2)17(28-3)9-18(12)29(25,26)23-14-6-4-5-7-15(14)24-19(21)13(10-20)11-22-24/h4-9,11,23H,21H2,1-3H3
InChIKeyREIWSNUDAOYVMQ-UHFFFAOYSA-N
XLogP2.45
TPSA132.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.46
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2-cyanophenyl)-4,5-dimethoxy-2-methylbenzenesulfonamide
CID 110758865
N-[2-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2,5-dichlorothiophene-3-sulfonamide
CID 31914119
N-[2-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2-(trifluoromethyl)benzenesulfonamide
CID 31913927
N-[2-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 43064369
2-cyano-N-(4-methoxy-2,5-dimethylphenyl)benzenesulfonamide
CID 110776899
N-(2-cyanophenyl)-3,4-dimethoxybenzenesulfonamide
CID 2824579
N-[2-(methanesulfonamido)phenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 113093443
N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 112846379
N-(2-bromophenyl)-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 100729224
4-amino-2-cyano-N-(2-methylphenyl)benzenesulfonamide
CID 43256224
N-(2-fluorophenyl)-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 2236619
2-[(5-methoxy-2,4-dimethylphenyl)sulfonylamino]benzamide
CID 91824586

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-amino-4-cyanopyrazol-1-yl)phenyl]-4,5-dimethoxy-2-methylbenzenesulfonamide?
The IUPAC name of N-[2-(5-amino-4-cyanopyrazol-1-yl)phenyl]-4,5-dimethoxy-2-methylbenzenesulfonamide (CID 39837730) is N-[2-(5-amino-4-cyanopyrazol-1-yl)phenyl]-4,5-dimethoxy-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(5-amino-4-cyanopyrazol-1-yl)phenyl]-4,5-dimethoxy-2-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(5-amino-4-cyanopyrazol-1-yl)phenyl]-4,5-dimethoxy-2-methylbenzenesulfonamide is COc1cc(C)c(S(=O)(=O)Nc2ccccc2-n2ncc(C#N)c2N)cc1OC.
What is the InChIKey of N-[2-(5-amino-4-cyanopyrazol-1-yl)phenyl]-4,5-dimethoxy-2-methylbenzenesulfonamide?
The InChIKey is REIWSNUDAOYVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O4S/c1-12-8-16(27-2)17(28-3)9-18(12)29(25,26)23-14-6-4-5-7-15(14)24-19(21)13(10-20)11-22-24/h4-9,11,23H,21H2,1-3H3.
What are the key properties of N-[2-(5-amino-4-cyanopyrazol-1-yl)phenyl]-4,5-dimethoxy-2-methylbenzenesulfonamide?
N-[2-(5-amino-4-cyanopyrazol-1-yl)phenyl]-4,5-dimethoxy-2-methylbenzenesulfonamide has a molecular weight of 413.46 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-amino-4-cyanopyrazol-1-yl)phenyl]-4,5-dimethoxy-2-methylbenzenesulfonamide is sourced from PubChem (CID 39837730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).