3-[4-chloro-3,5-bis(dimethylamino)phenyl]-2-phenylbenzenesulfonamide

C22H24ClN3O2S — CID 67654355

IUPAC3-[4-chloro-3,5-bis(dimethylamino)phenyl]-2-phenylbenzenesulfonamide
SMILESCN(C)c1cc(-c2cccc(S(N)(=O)=O)c2-c2ccccc2)cc(N(C)C)c1Cl
InChIInChI=1S/C22H24ClN3O2S/c1-25(2)18-13-16(14-19(22(18)23)26(3)4)17-11-8-12-20(29(24,27)28)21(17)15-9-6-5-7-10-15/h5-14H,1-4H3,(H2,24,27,28)
InChIKeyCGFOZIONKFRGLT-UHFFFAOYSA-N
MW429.97 g/mol
LogP4.45
Rot. Bonds5

About 3-[4-chloro-3,5-bis(dimethylamino)phenyl]-2-phenylbenzenesulfonamide

3-[4-chloro-3,5-bis(dimethylamino)phenyl]-2-phenylbenzenesulfonamide (PubChem CID 67654355) has the molecular formula C22H24ClN3O2S and a molecular weight of 429.97 g/mol. Its IUPAC name is 3-[4-chloro-3,5-bis(dimethylamino)phenyl]-2-phenylbenzenesulfonamide.

Molecular Properties

Compound Name3-[4-chloro-3,5-bis(dimethylamino)phenyl]-2-phenylbenzenesulfonamide
PubChem CID67654355
Molecular FormulaC22H24ClN3O2S
Molecular Weight429.97 g/mol
Exact Mass429.13
IUPAC Name3-[4-chloro-3,5-bis(dimethylamino)phenyl]-2-phenylbenzenesulfonamide
SMILESCN(C)c1cc(-c2cccc(S(N)(=O)=O)c2-c2ccccc2)cc(N(C)C)c1Cl
InChIInChI=1S/C22H24ClN3O2S/c1-25(2)18-13-16(14-19(22(18)23)26(3)4)17-11-8-12-20(29(24,27)28)21(17)15-9-6-5-7-10-15/h5-14H,1-4H3,(H2,24,27,28)
InChIKeyCGFOZIONKFRGLT-UHFFFAOYSA-N
XLogP4.45
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.97
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-5-(dimethylamino)naphthalene-1-sulfonamide
CID 3847484
4-[2-[4-Chloro-3,5-bis(dimethylamino)phenyl]-4,5-difluorophenyl]benzenesulfonamide
CID 23451133
4-[2-[4-Chloro-3-(dimethylamino)phenyl]-4,5-difluorophenyl]benzenesulfonamide
CID 23451190
4-[2-[4-Chloro-3-(dimethylamino)phenyl]-3,4,5,6-tetrafluorophenyl]benzenesulfonamide
CID 23451193
4-[2-[4-Chloro-3,5-bis(dimethylamino)phenyl]-3,4,5,6-tetrafluorophenyl]benzenesulfonamide
CID 23451329
3-[3,5-Bis(dimethylamino)-4-fluorophenyl]-2-phenylbenzenesulfonamide
CID 67653843
3-[3-(Dimethylamino)-4-fluorophenyl]-2-phenylbenzenesulfonamide
CID 67653870
3-[3,5-Bis(dimethylamino)-4-(trifluoromethyl)phenyl]-2-phenylbenzenesulfonamide
CID 67654182
N-[2-[4-chloro-3,5-bis(dimethylamino)phenyl]-4,5-difluorophenyl]benzenesulfonamide
CID 67654366
N-[2-[4-chloro-3-(dimethylamino)phenyl]-4,5-difluorophenyl]benzenesulfonamide
CID 67654931
N-[2-[4-chloro-3,5-bis(dimethylamino)phenyl]-3,4,5,6-tetrafluorophenyl]benzenesulfonamide
CID 88340596
2-[2-[3,5-Bis(dimethylamino)phenyl]-3,4,5,6-tetrafluorophenyl]benzenesulfonamide
CID 88341370

Frequently Asked Questions

What is the IUPAC name of 3-[4-chloro-3,5-bis(dimethylamino)phenyl]-2-phenylbenzenesulfonamide?
The IUPAC name of 3-[4-chloro-3,5-bis(dimethylamino)phenyl]-2-phenylbenzenesulfonamide (CID 67654355) is 3-[4-chloro-3,5-bis(dimethylamino)phenyl]-2-phenylbenzenesulfonamide.
What is the SMILES notation for 3-[4-chloro-3,5-bis(dimethylamino)phenyl]-2-phenylbenzenesulfonamide?
The canonical SMILES for 3-[4-chloro-3,5-bis(dimethylamino)phenyl]-2-phenylbenzenesulfonamide is CN(C)c1cc(-c2cccc(S(N)(=O)=O)c2-c2ccccc2)cc(N(C)C)c1Cl.
What is the InChIKey of 3-[4-chloro-3,5-bis(dimethylamino)phenyl]-2-phenylbenzenesulfonamide?
The InChIKey is CGFOZIONKFRGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O2S/c1-25(2)18-13-16(14-19(22(18)23)26(3)4)17-11-8-12-20(29(24,27)28)21(17)15-9-6-5-7-10-15/h5-14H,1-4H3,(H2,24,27,28).
What are the key properties of 3-[4-chloro-3,5-bis(dimethylamino)phenyl]-2-phenylbenzenesulfonamide?
3-[4-chloro-3,5-bis(dimethylamino)phenyl]-2-phenylbenzenesulfonamide has a molecular weight of 429.97 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-chloro-3,5-bis(dimethylamino)phenyl]-2-phenylbenzenesulfonamide is sourced from PubChem (CID 67654355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).