4-(ethylamino)-3-[(3-fluorophenyl)methylamino]-N,N-dimethylbenzenesulfonamide

C17H22FN3O2S — CID 24541411

IUPAC4-(ethylamino)-3-[(3-fluorophenyl)methylamino]-N,N-dimethylbenzenesulfonamide
SMILESCCNc1ccc(S(=O)(=O)N(C)C)cc1NCc1cccc(F)c1
InChIInChI=1S/C17H22FN3O2S/c1-4-19-16-9-8-15(24(22,23)21(2)3)11-17(16)20-12-13-6-5-7-14(18)10-13/h5-11,19-20H,4,12H2,1-3H3
InChIKeyKKMSKNLCZLVEHE-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.12
Rot. Bonds7

About 4-(ethylamino)-3-[(3-fluorophenyl)methylamino]-N,N-dimethylbenzenesulfonamide

4-(ethylamino)-3-[(3-fluorophenyl)methylamino]-N,N-dimethylbenzenesulfonamide (PubChem CID 24541411) has the molecular formula C17H22FN3O2S and a molecular weight of 351.45 g/mol. Its IUPAC name is 4-(ethylamino)-3-[(3-fluorophenyl)methylamino]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-(ethylamino)-3-[(3-fluorophenyl)methylamino]-N,N-dimethylbenzenesulfonamide
PubChem CID24541411
Molecular FormulaC17H22FN3O2S
Molecular Weight351.45 g/mol
Exact Mass351.14
IUPAC Name4-(ethylamino)-3-[(3-fluorophenyl)methylamino]-N,N-dimethylbenzenesulfonamide
SMILESCCNc1ccc(S(=O)(=O)N(C)C)cc1NCc1cccc(F)c1
InChIInChI=1S/C17H22FN3O2S/c1-4-19-16-9-8-15(24(22,23)21(2)3)11-17(16)20-12-13-6-5-7-14(18)10-13/h5-11,19-20H,4,12H2,1-3H3
InChIKeyKKMSKNLCZLVEHE-UHFFFAOYSA-N
XLogP3.12
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[(3-fluorophenyl)methyl]-5-methylsulfonylaniline
CID 43682077
methyl 2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetate
CID 24541409
4-(ethylamino)-N,N-dimethyl-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide
CID 24580638
3-[[(1S)-2,2-dichlorocyclopropyl]methylamino]-4-(ethylamino)-N,N-dimethylbenzenesulfonamide
CID 25352213
3-cyano-4-[(3-fluorophenyl)methylamino]benzenesulfonamide
CID 133310631
N-(4-bromo-2-fluorophenyl)-2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetamide
CID 4884599
3-[3-(dimethylsulfamoyl)phenyl]-1-[(3-fluorophenyl)methyl]-1-methylthiourea
CID 8680921
4-[(3-bromophenyl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 43234682
3-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]-4-(ethylamino)-N,N-dimethylbenzenesulfonamide
CID 112796691
2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 9106574
N-[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]-2-(4-methylphenyl)acetamide
CID 25343989
2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(4-methylphenyl)acetamide
CID 9106509

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-3-[(3-fluorophenyl)methylamino]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-(ethylamino)-3-[(3-fluorophenyl)methylamino]-N,N-dimethylbenzenesulfonamide (CID 24541411) is 4-(ethylamino)-3-[(3-fluorophenyl)methylamino]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-(ethylamino)-3-[(3-fluorophenyl)methylamino]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-(ethylamino)-3-[(3-fluorophenyl)methylamino]-N,N-dimethylbenzenesulfonamide is CCNc1ccc(S(=O)(=O)N(C)C)cc1NCc1cccc(F)c1.
What is the InChIKey of 4-(ethylamino)-3-[(3-fluorophenyl)methylamino]-N,N-dimethylbenzenesulfonamide?
The InChIKey is KKMSKNLCZLVEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O2S/c1-4-19-16-9-8-15(24(22,23)21(2)3)11-17(16)20-12-13-6-5-7-14(18)10-13/h5-11,19-20H,4,12H2,1-3H3.
What are the key properties of 4-(ethylamino)-3-[(3-fluorophenyl)methylamino]-N,N-dimethylbenzenesulfonamide?
4-(ethylamino)-3-[(3-fluorophenyl)methylamino]-N,N-dimethylbenzenesulfonamide has a molecular weight of 351.45 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-3-[(3-fluorophenyl)methylamino]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 24541411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).