N-(difluoromethyl)-4-methyl-N-(2-morpholin-4-ylphenyl)benzenesulfonamide

C18H20F2N2O3S — CID 1189237

IUPACN-(difluoromethyl)-4-methyl-N-(2-morpholin-4-ylphenyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(c2ccccc2N2CCOCC2)C(F)F)cc1
InChIInChI=1S/C18H20F2N2O3S/c1-14-6-8-15(9-7-14)26(23,24)22(18(19)20)17-5-3-2-4-16(17)21-10-12-25-13-11-21/h2-9,18H,10-13H2,1H3
InChIKeyOQUYBXNDMQJUCI-UHFFFAOYSA-N
MW382.43 g/mol
LogP3.25
Rot. Bonds5

About N-(difluoromethyl)-4-methyl-N-(2-morpholin-4-ylphenyl)benzenesulfonamide

N-(difluoromethyl)-4-methyl-N-(2-morpholin-4-ylphenyl)benzenesulfonamide (PubChem CID 1189237) has the molecular formula C18H20F2N2O3S and a molecular weight of 382.43 g/mol. Its IUPAC name is N-(difluoromethyl)-4-methyl-N-(2-morpholin-4-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(difluoromethyl)-4-methyl-N-(2-morpholin-4-ylphenyl)benzenesulfonamide
PubChem CID1189237
Molecular FormulaC18H20F2N2O3S
Molecular Weight382.43 g/mol
Exact Mass382.12
IUPAC NameN-(difluoromethyl)-4-methyl-N-(2-morpholin-4-ylphenyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(c2ccccc2N2CCOCC2)C(F)F)cc1
InChIInChI=1S/C18H20F2N2O3S/c1-14-6-8-15(9-7-14)26(23,24)22(18(19)20)17-5-3-2-4-16(17)21-10-12-25-13-11-21/h2-9,18H,10-13H2,1H3
InChIKeyOQUYBXNDMQJUCI-UHFFFAOYSA-N
XLogP3.25
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.43
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze N-(difluoromethyl)-4-methyl-N-(2-morpholin-4-ylphenyl)benzenesulfonamide 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

4-methyl-N-[(2-morpholin-4-ylphenyl)methyl]benzenesulfonamide
CID 47075386
N,N-dimethyl-2-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)aniline
CID 101213947
4-[2-(difluoromethylsulfonyl)phenyl]morpholine
CID 133282213
N-(2-methoxyphenyl)-4-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
CID 1163324
N-(2-fluoropropyl)-N-methyl-4-morpholin-4-ylbenzenesulfonamide
CID 46939268
3-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ylphenyl)propanamide
CID 9431656
4,10-bis-(4-methylphenyl)sulfonyl-1,7-dioxa-4,10-diazacyclododecane
CID 1101145
2-chloro-6-morpholin-4-ylbenzenediazonium;4-methylbenzenesulfonate
CID 19777748
N-(5-fluoro-2-morpholin-4-ylphenyl)-4-methylbenzenesulfonamide
CID 113092748
3-(N-acetyl-2-morpholin-4-ylanilino)-N-(4-methylphenyl)propanamide
CID 113132196
N-methyl-3-[(4-methylphenyl)sulfonylamino]-N-[(2-morpholin-4-ylphenyl)methyl]propanamide
CID 38723759
4-[2-(2-methylphenyl)phenyl]morpholine
CID 173334171

Frequently Asked Questions

What is the IUPAC name of N-(difluoromethyl)-4-methyl-N-(2-morpholin-4-ylphenyl)benzenesulfonamide?
The IUPAC name of N-(difluoromethyl)-4-methyl-N-(2-morpholin-4-ylphenyl)benzenesulfonamide (CID 1189237) is N-(difluoromethyl)-4-methyl-N-(2-morpholin-4-ylphenyl)benzenesulfonamide.
What is the SMILES notation for N-(difluoromethyl)-4-methyl-N-(2-morpholin-4-ylphenyl)benzenesulfonamide?
The canonical SMILES for N-(difluoromethyl)-4-methyl-N-(2-morpholin-4-ylphenyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)N(c2ccccc2N2CCOCC2)C(F)F)cc1.
What is the InChIKey of N-(difluoromethyl)-4-methyl-N-(2-morpholin-4-ylphenyl)benzenesulfonamide?
The InChIKey is OQUYBXNDMQJUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O3S/c1-14-6-8-15(9-7-14)26(23,24)22(18(19)20)17-5-3-2-4-16(17)21-10-12-25-13-11-21/h2-9,18H,10-13H2,1H3.
What are the key properties of N-(difluoromethyl)-4-methyl-N-(2-morpholin-4-ylphenyl)benzenesulfonamide?
N-(difluoromethyl)-4-methyl-N-(2-morpholin-4-ylphenyl)benzenesulfonamide has a molecular weight of 382.43 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(difluoromethyl)-4-methyl-N-(2-morpholin-4-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 1189237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).