N-[4-(2-cyanoanilino)phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide

C18H17N5O2S — CID 112989910

IUPACN-[4-(2-cyanoanilino)phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(Nc2ccccc2C#N)cc1
InChIInChI=1S/C18H17N5O2S/c1-12-18(13(2)22-21-12)26(24,25)23-16-9-7-15(8-10-16)20-17-6-4-3-5-14(17)11-19/h3-10,20,23H,1-2H3,(H,21,22)
InChIKeyASEGKDVYNVPFDT-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.44
Rot. Bonds5

About N-[4-(2-cyanoanilino)phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide

N-[4-(2-cyanoanilino)phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 112989910) has the molecular formula C18H17N5O2S and a molecular weight of 367.43 g/mol. Its IUPAC name is N-[4-(2-cyanoanilino)phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[4-(2-cyanoanilino)phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID112989910
Molecular FormulaC18H17N5O2S
Molecular Weight367.43 g/mol
Exact Mass367.11
IUPAC NameN-[4-(2-cyanoanilino)phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(Nc2ccccc2C#N)cc1
InChIInChI=1S/C18H17N5O2S/c1-12-18(13(2)22-21-12)26(24,25)23-16-9-7-15(8-10-16)20-17-6-4-3-5-14(17)11-19/h3-10,20,23H,1-2H3,(H,21,22)
InChIKeyASEGKDVYNVPFDT-UHFFFAOYSA-N
XLogP3.44
TPSA110.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[4-(2-cyanoanilino)phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 28785562
N-[4-(3,4-dimethylanilino)phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 112986378
N-(4-bromo-2-cyanophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 82708048
N-[4-(2-cyanoanilino)phenyl]-4-fluoro-2-methylbenzenesulfonamide
CID 112989897
N-[4-(2-cyanoanilino)phenyl]-4-fluoro-3-methylbenzenesulfonamide
CID 112989896
N-[4-(aminomethyl)phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 28754462
N-[4-(1-hydroxyethyl)phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43417190
3,5-dimethyl-N-[6-(2-propan-2-ylanilino)-3-pyridinyl]-1H-pyrazole-4-sulfonamide
CID 113017795
3,5-dimethyl-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-1H-pyrazole-4-sulfonamide
CID 122317317
N-(3,4-dichlorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 26952341
N-[4-(2-aminoethyl)phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 28754608
N-(4-cyano-1-methylpyrazol-5-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 79503403

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-cyanoanilino)phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[4-(2-cyanoanilino)phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 112989910) is N-[4-(2-cyanoanilino)phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[4-(2-cyanoanilino)phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[4-(2-cyanoanilino)phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(Nc2ccccc2C#N)cc1.
What is the InChIKey of N-[4-(2-cyanoanilino)phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is ASEGKDVYNVPFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2S/c1-12-18(13(2)22-21-12)26(24,25)23-16-9-7-15(8-10-16)20-17-6-4-3-5-14(17)11-19/h3-10,20,23H,1-2H3,(H,21,22).
What are the key properties of N-[4-(2-cyanoanilino)phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
N-[4-(2-cyanoanilino)phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 367.43 g/mol, XLogP of 3.44, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-cyanoanilino)phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 112989910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).