5-chloro-N-(2,5-difluoro-4-morpholin-4-ylphenyl)-1H-pyrazole-4-sulfonamide

C13H13ClF2N4O3S — CID 167872345

IUPAC5-chloro-N-(2,5-difluoro-4-morpholin-4-ylphenyl)-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(Nc1cc(F)c(N2CCOCC2)cc1F)c1cn[nH]c1Cl
InChIInChI=1S/C13H13ClF2N4O3S/c14-13-12(7-17-18-13)24(21,22)19-10-5-9(16)11(6-8(10)15)20-1-3-23-4-2-20/h5-7,19H,1-4H2,(H,17,18)
InChIKeyBUZMYSLAFPBJDO-UHFFFAOYSA-N
MW378.79 g/mol
LogP1.98
Rot. Bonds4

About 5-chloro-N-(2,5-difluoro-4-morpholin-4-ylphenyl)-1H-pyrazole-4-sulfonamide

5-chloro-N-(2,5-difluoro-4-morpholin-4-ylphenyl)-1H-pyrazole-4-sulfonamide (PubChem CID 167872345) has the molecular formula C13H13ClF2N4O3S and a molecular weight of 378.79 g/mol. Its IUPAC name is 5-chloro-N-(2,5-difluoro-4-morpholin-4-ylphenyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(2,5-difluoro-4-morpholin-4-ylphenyl)-1H-pyrazole-4-sulfonamide
PubChem CID167872345
Molecular FormulaC13H13ClF2N4O3S
Molecular Weight378.79 g/mol
Exact Mass378.04
IUPAC Name5-chloro-N-(2,5-difluoro-4-morpholin-4-ylphenyl)-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(Nc1cc(F)c(N2CCOCC2)cc1F)c1cn[nH]c1Cl
InChIInChI=1S/C13H13ClF2N4O3S/c14-13-12(7-17-18-13)24(21,22)19-10-5-9(16)11(6-8(10)15)20-1-3-23-4-2-20/h5-7,19H,1-4H2,(H,17,18)
InChIKeyBUZMYSLAFPBJDO-UHFFFAOYSA-N
XLogP1.98
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.79
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-chloro-N-(2,5-difluoro-4-morpholin-4-ylphenyl)-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

5-amino-N-(2,5-dichlorophenyl)-2-morpholin-4-ylbenzenesulfonamide
CID 3870175
2,5-difluoro-4-morpholin-4-yl-N-(pyridin-3-ylmethyl)aniline
CID 167840965
3-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-2-methylbenzenesulfonamide
CID 55880070
4-(4,5-difluoro-2-morpholin-4-ylphenyl)-1H-pyrazol-5-amine
CID 115112119
N-(5-fluoro-2-morpholin-4-ylphenyl)-4-methylbenzenesulfonamide
CID 113092748
N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-2-[(4-chlorophenyl)sulfonylamino]benzamide
CID 4206577
3-[(5-chloro-2-morpholin-4-ylphenyl)sulfamoyl]-4,5-dimethylbenzoic acid
CID 4806611
N-(5-fluoro-2-morpholin-4-ylphenyl)-2-methoxy-5-methylbenzenesulfonamide
CID 113092763
4-(2,5-difluoro-4-morpholin-4-ylanilino)cyclohexane-1-carboxylic acid
CID 122034245
N-[4-chloro-2-(1-oxidopyridin-1-ium-4-carbonyl)phenyl]-3-fluoro-4-morpholin-4-ylbenzenesulfonamide
CID 24831315
5-bromo-4-[(5-chloro-2-morpholin-4-ylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 39826976
3-[(4-fluorophenyl)sulfonylamino]-4-morpholin-4-ylbenzoic acid
CID 46292418

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2,5-difluoro-4-morpholin-4-ylphenyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-chloro-N-(2,5-difluoro-4-morpholin-4-ylphenyl)-1H-pyrazole-4-sulfonamide (CID 167872345) is 5-chloro-N-(2,5-difluoro-4-morpholin-4-ylphenyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-N-(2,5-difluoro-4-morpholin-4-ylphenyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-chloro-N-(2,5-difluoro-4-morpholin-4-ylphenyl)-1H-pyrazole-4-sulfonamide is O=S(=O)(Nc1cc(F)c(N2CCOCC2)cc1F)c1cn[nH]c1Cl.
What is the InChIKey of 5-chloro-N-(2,5-difluoro-4-morpholin-4-ylphenyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is BUZMYSLAFPBJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClF2N4O3S/c14-13-12(7-17-18-13)24(21,22)19-10-5-9(16)11(6-8(10)15)20-1-3-23-4-2-20/h5-7,19H,1-4H2,(H,17,18).
What are the key properties of 5-chloro-N-(2,5-difluoro-4-morpholin-4-ylphenyl)-1H-pyrazole-4-sulfonamide?
5-chloro-N-(2,5-difluoro-4-morpholin-4-ylphenyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 378.79 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2,5-difluoro-4-morpholin-4-ylphenyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 167872345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).