N-[3-[4-(dimethylamino)phenyl]propyl]-4-fluoro-3-methylbenzenesulfonamide

C18H23FN2O2S — CID 16890857

IUPACN-[3-[4-(dimethylamino)phenyl]propyl]-4-fluoro-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCCCc2ccc(N(C)C)cc2)ccc1F
InChIInChI=1S/C18H23FN2O2S/c1-14-13-17(10-11-18(14)19)24(22,23)20-12-4-5-15-6-8-16(9-7-15)21(2)3/h6-11,13,20H,4-5,12H2,1-3H3
InChIKeyZGPKBONWJZFRCY-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.11
Rot. Bonds7

About N-[3-[4-(dimethylamino)phenyl]propyl]-4-fluoro-3-methylbenzenesulfonamide

N-[3-[4-(dimethylamino)phenyl]propyl]-4-fluoro-3-methylbenzenesulfonamide (PubChem CID 16890857) has the molecular formula C18H23FN2O2S and a molecular weight of 350.46 g/mol. Its IUPAC name is N-[3-[4-(dimethylamino)phenyl]propyl]-4-fluoro-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-[4-(dimethylamino)phenyl]propyl]-4-fluoro-3-methylbenzenesulfonamide
PubChem CID16890857
Molecular FormulaC18H23FN2O2S
Molecular Weight350.46 g/mol
Exact Mass350.15
IUPAC NameN-[3-[4-(dimethylamino)phenyl]propyl]-4-fluoro-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCCCc2ccc(N(C)C)cc2)ccc1F
InChIInChI=1S/C18H23FN2O2S/c1-14-13-17(10-11-18(14)19)24(22,23)20-12-4-5-15-6-8-16(9-7-15)21(2)3/h6-11,13,20H,4-5,12H2,1-3H3
InChIKeyZGPKBONWJZFRCY-UHFFFAOYSA-N
XLogP3.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[4-(dimethylamino)phenyl]propyl]-4-ethylbenzenesulfonamide
CID 16890812
4-fluoro-3-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 7314460
3-chloro-N-[3-[4-(dimethylamino)phenyl]propyl]-4-methoxybenzenesulfonamide
CID 16890872
4-chloro-N-[2-[4-(dimethylamino)phenyl]ethyl]benzenesulfonamide
CID 16890429
N-[2-[4-(dimethylamino)phenyl]ethyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 16890439
N-[3-[4-(dimethylamino)phenyl]propyl]-4-methoxy-3-nitrobenzenesulfonamide
CID 34122986
4-fluoro-3-methyl-N-(3-naphthalen-1-ylpropyl)benzenesulfonamide
CID 100696895
3-fluoro-4-methoxy-N-[3-(4-methylphenyl)propyl]benzenesulfonamide
CID 92680028
4-fluoro-3-methyl-N-[3-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]benzenesulfonamide
CID 9188814
4-fluoro-3-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide
CID 120715824
3,4-difluoro-N-(4-phenylbutyl)benzenesulfonamide
CID 4509651
N-[2-[4-(dimethylamino)phenyl]ethyl]-4-phenylbenzenesulfonamide
CID 16890478

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(dimethylamino)phenyl]propyl]-4-fluoro-3-methylbenzenesulfonamide?
The IUPAC name of N-[3-[4-(dimethylamino)phenyl]propyl]-4-fluoro-3-methylbenzenesulfonamide (CID 16890857) is N-[3-[4-(dimethylamino)phenyl]propyl]-4-fluoro-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[3-[4-(dimethylamino)phenyl]propyl]-4-fluoro-3-methylbenzenesulfonamide?
The canonical SMILES for N-[3-[4-(dimethylamino)phenyl]propyl]-4-fluoro-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)NCCCc2ccc(N(C)C)cc2)ccc1F.
What is the InChIKey of N-[3-[4-(dimethylamino)phenyl]propyl]-4-fluoro-3-methylbenzenesulfonamide?
The InChIKey is ZGPKBONWJZFRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O2S/c1-14-13-17(10-11-18(14)19)24(22,23)20-12-4-5-15-6-8-16(9-7-15)21(2)3/h6-11,13,20H,4-5,12H2,1-3H3.
What are the key properties of N-[3-[4-(dimethylamino)phenyl]propyl]-4-fluoro-3-methylbenzenesulfonamide?
N-[3-[4-(dimethylamino)phenyl]propyl]-4-fluoro-3-methylbenzenesulfonamide has a molecular weight of 350.46 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(dimethylamino)phenyl]propyl]-4-fluoro-3-methylbenzenesulfonamide is sourced from PubChem (CID 16890857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).