4-(2,4-difluorophenyl)-N-[4-[(dimethylamino)methyl]cyclohexyl]benzenesulfonamide

C21H26F2N2O2S — CID 45279224

IUPAC4-(2,4-difluorophenyl)-N-[4-[(dimethylamino)methyl]cyclohexyl]benzenesulfonamide
SMILESCN(C)CC1CCC(NS(=O)(=O)c2ccc(-c3ccc(F)cc3F)cc2)CC1
InChIInChI=1S/C21H26F2N2O2S/c1-25(2)14-15-3-8-18(9-4-15)24-28(26,27)19-10-5-16(6-11-19)20-12-7-17(22)13-21(20)23/h5-7,10-13,15,18,24H,3-4,8-9,14H2,1-2H3
InChIKeyQTXIZDUPQOJQHE-UHFFFAOYSA-N
MW408.51 g/mol
LogP4.03
Rot. Bonds6

About 4-(2,4-difluorophenyl)-N-[4-[(dimethylamino)methyl]cyclohexyl]benzenesulfonamide

4-(2,4-difluorophenyl)-N-[4-[(dimethylamino)methyl]cyclohexyl]benzenesulfonamide (PubChem CID 45279224) has the molecular formula C21H26F2N2O2S and a molecular weight of 408.51 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-N-[4-[(dimethylamino)methyl]cyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-N-[4-[(dimethylamino)methyl]cyclohexyl]benzenesulfonamide
PubChem CID45279224
Molecular FormulaC21H26F2N2O2S
Molecular Weight408.51 g/mol
Exact Mass408.17
IUPAC Name4-(2,4-difluorophenyl)-N-[4-[(dimethylamino)methyl]cyclohexyl]benzenesulfonamide
SMILESCN(C)CC1CCC(NS(=O)(=O)c2ccc(-c3ccc(F)cc3F)cc2)CC1
InChIInChI=1S/C21H26F2N2O2S/c1-25(2)14-15-3-8-18(9-4-15)24-28(26,27)19-10-5-16(6-11-19)20-12-7-17(22)13-21(20)23/h5-7,10-13,15,18,24H,3-4,8-9,14H2,1-2H3
InChIKeyQTXIZDUPQOJQHE-UHFFFAOYSA-N
XLogP4.03
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-N-[4-[(dimethylamino)methyl]cyclohexyl]benzenesulfonamide?
The IUPAC name of 4-(2,4-difluorophenyl)-N-[4-[(dimethylamino)methyl]cyclohexyl]benzenesulfonamide (CID 45279224) is 4-(2,4-difluorophenyl)-N-[4-[(dimethylamino)methyl]cyclohexyl]benzenesulfonamide.
What is the SMILES notation for 4-(2,4-difluorophenyl)-N-[4-[(dimethylamino)methyl]cyclohexyl]benzenesulfonamide?
The canonical SMILES for 4-(2,4-difluorophenyl)-N-[4-[(dimethylamino)methyl]cyclohexyl]benzenesulfonamide is CN(C)CC1CCC(NS(=O)(=O)c2ccc(-c3ccc(F)cc3F)cc2)CC1.
What is the InChIKey of 4-(2,4-difluorophenyl)-N-[4-[(dimethylamino)methyl]cyclohexyl]benzenesulfonamide?
The InChIKey is QTXIZDUPQOJQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F2N2O2S/c1-25(2)14-15-3-8-18(9-4-15)24-28(26,27)19-10-5-16(6-11-19)20-12-7-17(22)13-21(20)23/h5-7,10-13,15,18,24H,3-4,8-9,14H2,1-2H3.
What are the key properties of 4-(2,4-difluorophenyl)-N-[4-[(dimethylamino)methyl]cyclohexyl]benzenesulfonamide?
4-(2,4-difluorophenyl)-N-[4-[(dimethylamino)methyl]cyclohexyl]benzenesulfonamide has a molecular weight of 408.51 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)-N-[4-[(dimethylamino)methyl]cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 45279224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).