N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-2,3,5,6-tetramethylbenzenesulfonamide

C20H21ClFN3O2S — CID 22206812

IUPACN-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-2,3,5,6-tetramethylbenzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)Nc2cnn(Cc3c(F)cccc3Cl)c2)c1C
InChIInChI=1S/C20H21ClFN3O2S/c1-12-8-13(2)15(4)20(14(12)3)28(26,27)24-16-9-23-25(10-16)11-17-18(21)6-5-7-19(17)22/h5-10,24H,11H2,1-4H3
InChIKeySUVTWDGZWMXANF-UHFFFAOYSA-N
MW421.93 g/mol
LogP4.76
Rot. Bonds5

About N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-2,3,5,6-tetramethylbenzenesulfonamide

N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-2,3,5,6-tetramethylbenzenesulfonamide (PubChem CID 22206812) has the molecular formula C20H21ClFN3O2S and a molecular weight of 421.93 g/mol. Its IUPAC name is N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-2,3,5,6-tetramethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-2,3,5,6-tetramethylbenzenesulfonamide
PubChem CID22206812
Molecular FormulaC20H21ClFN3O2S
Molecular Weight421.93 g/mol
Exact Mass421.10
IUPAC NameN-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-2,3,5,6-tetramethylbenzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)Nc2cnn(Cc3c(F)cccc3Cl)c2)c1C
InChIInChI=1S/C20H21ClFN3O2S/c1-12-8-13(2)15(4)20(14(12)3)28(26,27)24-16-9-23-25(10-16)11-17-18(21)6-5-7-19(17)22/h5-10,24H,11H2,1-4H3
InChIKeySUVTWDGZWMXANF-UHFFFAOYSA-N
XLogP4.76
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.93
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-2,3,5,6-tetramethylbenzenesulfonamide 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-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]-4-fluorobenzenesulfonamide
CID 22204249
1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-amine;hydrochloride
CID 17349598
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-2-(4-chloro-5-methylpyrazol-1-yl)acetamide
CID 19410448
ethyl 1-[(2-chloro-6-fluorophenyl)methyl]pyrazole-4-carboxylate
CID 79970020
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]pyridine-2-carboxamide
CID 35761688
4-chloro-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2,5-dimethylbenzenesulfonamide
CID 22204566
4-chloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-1-ethylpyrazole-5-carboxamide
CID 19410315
1-butyl-3-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]thiourea
CID 19343891
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-3,4-dimethoxybenzamide
CID 1244331
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-4-methoxybenzamide
CID 19410382
1-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-N-ethylpropan-1-amine
CID 62729801
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-2-(4-methoxyphenyl)acetamide
CID 39853189

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-2,3,5,6-tetramethylbenzenesulfonamide?
The IUPAC name of N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-2,3,5,6-tetramethylbenzenesulfonamide (CID 22206812) is N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-2,3,5,6-tetramethylbenzenesulfonamide.
What is the SMILES notation for N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-2,3,5,6-tetramethylbenzenesulfonamide?
The canonical SMILES for N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-2,3,5,6-tetramethylbenzenesulfonamide is Cc1cc(C)c(C)c(S(=O)(=O)Nc2cnn(Cc3c(F)cccc3Cl)c2)c1C.
What is the InChIKey of N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-2,3,5,6-tetramethylbenzenesulfonamide?
The InChIKey is SUVTWDGZWMXANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClFN3O2S/c1-12-8-13(2)15(4)20(14(12)3)28(26,27)24-16-9-23-25(10-16)11-17-18(21)6-5-7-19(17)22/h5-10,24H,11H2,1-4H3.
What are the key properties of N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-2,3,5,6-tetramethylbenzenesulfonamide?
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-2,3,5,6-tetramethylbenzenesulfonamide has a molecular weight of 421.93 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-2,3,5,6-tetramethylbenzenesulfonamide is sourced from PubChem (CID 22206812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).