N-[4-(dimethylamino)phenyl]-3-(4-fluoro-2-methylphenyl)benzenesulfonamide

C21H21FN2O2S — CID 11165024

IUPACN-[4-(dimethylamino)phenyl]-3-(4-fluoro-2-methylphenyl)benzenesulfonamide
SMILESCc1cc(F)ccc1-c1cccc(S(=O)(=O)Nc2ccc(N(C)C)cc2)c1
InChIInChI=1S/C21H21FN2O2S/c1-15-13-17(22)7-12-21(15)16-5-4-6-20(14-16)27(25,26)23-18-8-10-19(11-9-18)24(2)3/h4-14,23H,1-3H3
InChIKeyHBXJGLNZEBVYNX-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.67
Rot. Bonds5

About N-[4-(dimethylamino)phenyl]-3-(4-fluoro-2-methylphenyl)benzenesulfonamide

N-[4-(dimethylamino)phenyl]-3-(4-fluoro-2-methylphenyl)benzenesulfonamide (PubChem CID 11165024) has the molecular formula C21H21FN2O2S and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-3-(4-fluoro-2-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-3-(4-fluoro-2-methylphenyl)benzenesulfonamide
PubChem CID11165024
Molecular FormulaC21H21FN2O2S
Molecular Weight384.48 g/mol
Exact Mass384.13
IUPAC NameN-[4-(dimethylamino)phenyl]-3-(4-fluoro-2-methylphenyl)benzenesulfonamide
SMILESCc1cc(F)ccc1-c1cccc(S(=O)(=O)Nc2ccc(N(C)C)cc2)c1
InChIInChI=1S/C21H21FN2O2S/c1-15-13-17(22)7-12-21(15)16-5-4-6-20(14-16)27(25,26)23-18-8-10-19(11-9-18)24(2)3/h4-14,23H,1-3H3
InChIKeyHBXJGLNZEBVYNX-UHFFFAOYSA-N
XLogP4.67
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-[4-(dimethylamino)anilino]phenyl]-3-methylbenzenesulfonamide
CID 112988717
N-(4-ethylphenyl)-3-(4-fluorophenyl)benzenesulfonamide
CID 71211560
4-chloro-N-[4-(dimethylamino)phenyl]-3-methylbenzenesulfonamide
CID 113098713
3-amino-N-[4-(dimethylamino)phenyl]-5-fluorobenzenesulfonamide
CID 63322274
N-[4-(dimethylamino)phenyl]pyrene-2-sulfonamide
CID 100936136
N-[4-(dimethylamino)phenyl]-4,5-bis(4-fluorophenyl)thiophene-2-sulfonamide
CID 59823150
3-[[4-(dimethylamino)phenyl]sulfamoyl]-N-propan-2-ylbenzamide
CID 109062218
3-[[4-(dimethylamino)phenyl]sulfamoyl]-N,N-diethylbenzamide
CID 109065116
3-fluoro-N-[3-methyl-4-(4-methyl-3-pyridinyl)phenyl]benzenesulfonamide
CID 56651283
3-methyl-N-[4-[methyl(methylsulfonyl)amino]phenyl]benzenesulfonamide
CID 113094332
N-(3-amino-4-methylphenyl)-3-fluorobenzenesulfonamide
CID 24708334
N-[4-(2,4-difluoroanilino)phenyl]-3-methylbenzenesulfonamide
CID 112989459

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-3-(4-fluoro-2-methylphenyl)benzenesulfonamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-3-(4-fluoro-2-methylphenyl)benzenesulfonamide (CID 11165024) is N-[4-(dimethylamino)phenyl]-3-(4-fluoro-2-methylphenyl)benzenesulfonamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-3-(4-fluoro-2-methylphenyl)benzenesulfonamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-3-(4-fluoro-2-methylphenyl)benzenesulfonamide is Cc1cc(F)ccc1-c1cccc(S(=O)(=O)Nc2ccc(N(C)C)cc2)c1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-3-(4-fluoro-2-methylphenyl)benzenesulfonamide?
The InChIKey is HBXJGLNZEBVYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O2S/c1-15-13-17(22)7-12-21(15)16-5-4-6-20(14-16)27(25,26)23-18-8-10-19(11-9-18)24(2)3/h4-14,23H,1-3H3.
What are the key properties of N-[4-(dimethylamino)phenyl]-3-(4-fluoro-2-methylphenyl)benzenesulfonamide?
N-[4-(dimethylamino)phenyl]-3-(4-fluoro-2-methylphenyl)benzenesulfonamide has a molecular weight of 384.48 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-3-(4-fluoro-2-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 11165024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).