N-[2-(2,4-dimethylanilino)-3,4-difluorophenyl]cyclohexanesulfonamide

C20H24F2N2O2S — CID 143758056

IUPACN-[2-(2,4-dimethylanilino)-3,4-difluorophenyl]cyclohexanesulfonamide
SMILESCc1ccc(Nc2c(NS(=O)(=O)C3CCCCC3)ccc(F)c2F)c(C)c1
InChIInChI=1S/C20H24F2N2O2S/c1-13-8-10-17(14(2)12-13)23-20-18(11-9-16(21)19(20)22)24-27(25,26)15-6-4-3-5-7-15/h8-12,15,23-24H,3-7H2,1-2H3
InChIKeyUPNCHZRNDNTUKS-UHFFFAOYSA-N
MW394.49 g/mol
LogP5.40
Rot. Bonds5

About N-[2-(2,4-dimethylanilino)-3,4-difluorophenyl]cyclohexanesulfonamide

N-[2-(2,4-dimethylanilino)-3,4-difluorophenyl]cyclohexanesulfonamide (PubChem CID 143758056) has the molecular formula C20H24F2N2O2S and a molecular weight of 394.49 g/mol. Its IUPAC name is N-[2-(2,4-dimethylanilino)-3,4-difluorophenyl]cyclohexanesulfonamide.

Molecular Properties

Compound NameN-[2-(2,4-dimethylanilino)-3,4-difluorophenyl]cyclohexanesulfonamide
PubChem CID143758056
Molecular FormulaC20H24F2N2O2S
Molecular Weight394.49 g/mol
Exact Mass394.15
IUPAC NameN-[2-(2,4-dimethylanilino)-3,4-difluorophenyl]cyclohexanesulfonamide
SMILESCc1ccc(Nc2c(NS(=O)(=O)C3CCCCC3)ccc(F)c2F)c(C)c1
InChIInChI=1S/C20H24F2N2O2S/c1-13-8-10-17(14(2)12-13)23-20-18(11-9-16(21)19(20)22)24-27(25,26)15-6-4-3-5-7-15/h8-12,15,23-24H,3-7H2,1-2H3
InChIKeyUPNCHZRNDNTUKS-UHFFFAOYSA-N
XLogP5.40
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.49
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3,4-difluoro-2-(4-iodo-2-methylanilino)phenyl]cyclopentanesulfonamide
CID 143399893
N-[2-(4-cyano-2-fluoroanilino)-3,4-difluorophenyl]cyclopropanesulfonamide
CID 59386353
N-[2-[4-(4-aminophenyl)-2-fluoroanilino]-3,4-difluorophenyl]cyclopropanesulfonamide
CID 89144911
N-(2-amino-4-methylphenyl)cyclopentanesulfonamide
CID 105360548
N-[3,4-difluoro-2-[2-fluoro-4-(1H-pyrazol-5-yl)anilino]phenyl]cyclopropanesulfonamide
CID 59386340
N-(2-fluoro-4-methylphenyl)piperidine-3-sulfonamide
CID 43114273
N-(2,4-dimethylphenyl)pyrrolidine-3-sulfonamide
CID 65419614
N-(2-bromo-4-fluorophenyl)cyclohexanesulfonamide
CID 61066206
N-(2-fluoro-4-methylphenyl)pyrrolidine-3-sulfonamide
CID 65420035
(2,3,4,5,6-pentafluorophenyl) 2-(2,4-dimethylanilino)-3,4-difluorobenzoate
CID 142108958
N-[5-chloro-2-(2-fluoro-4-methylanilino)-1-methyl-6-oxo-3-pyridinyl]cyclopropanesulfonamide
CID 91455769
N-(5-bromo-2-methylphenyl)cyclopentanesulfonamide
CID 115606541

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dimethylanilino)-3,4-difluorophenyl]cyclohexanesulfonamide?
The IUPAC name of N-[2-(2,4-dimethylanilino)-3,4-difluorophenyl]cyclohexanesulfonamide (CID 143758056) is N-[2-(2,4-dimethylanilino)-3,4-difluorophenyl]cyclohexanesulfonamide.
What is the SMILES notation for N-[2-(2,4-dimethylanilino)-3,4-difluorophenyl]cyclohexanesulfonamide?
The canonical SMILES for N-[2-(2,4-dimethylanilino)-3,4-difluorophenyl]cyclohexanesulfonamide is Cc1ccc(Nc2c(NS(=O)(=O)C3CCCCC3)ccc(F)c2F)c(C)c1.
What is the InChIKey of N-[2-(2,4-dimethylanilino)-3,4-difluorophenyl]cyclohexanesulfonamide?
The InChIKey is UPNCHZRNDNTUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N2O2S/c1-13-8-10-17(14(2)12-13)23-20-18(11-9-16(21)19(20)22)24-27(25,26)15-6-4-3-5-7-15/h8-12,15,23-24H,3-7H2,1-2H3.
What are the key properties of N-[2-(2,4-dimethylanilino)-3,4-difluorophenyl]cyclohexanesulfonamide?
N-[2-(2,4-dimethylanilino)-3,4-difluorophenyl]cyclohexanesulfonamide has a molecular weight of 394.49 g/mol, XLogP of 5.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dimethylanilino)-3,4-difluorophenyl]cyclohexanesulfonamide is sourced from PubChem (CID 143758056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).