4-(aminomethyl)-N-(4-fluorophenyl)-N,3-dimethylbenzenesulfonamide

C15H17FN2O2S — CID 106919334

IUPAC4-(aminomethyl)-N-(4-fluorophenyl)-N,3-dimethylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)N(C)c2ccc(F)cc2)ccc1CN
InChIInChI=1S/C15H17FN2O2S/c1-11-9-15(8-3-12(11)10-17)21(19,20)18(2)14-6-4-13(16)5-7-14/h3-9H,10,17H2,1-2H3
InChIKeyLIZDOIKNSJMBTB-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.42
Rot. Bonds4

About 4-(aminomethyl)-N-(4-fluorophenyl)-N,3-dimethylbenzenesulfonamide

4-(aminomethyl)-N-(4-fluorophenyl)-N,3-dimethylbenzenesulfonamide (PubChem CID 106919334) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(4-fluorophenyl)-N,3-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(4-fluorophenyl)-N,3-dimethylbenzenesulfonamide
PubChem CID106919334
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC Name4-(aminomethyl)-N-(4-fluorophenyl)-N,3-dimethylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)N(C)c2ccc(F)cc2)ccc1CN
InChIInChI=1S/C15H17FN2O2S/c1-11-9-15(8-3-12(11)10-17)21(19,20)18(2)14-6-4-13(16)5-7-14/h3-9H,10,17H2,1-2H3
InChIKeyLIZDOIKNSJMBTB-UHFFFAOYSA-N
XLogP2.42
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-ethyl-N,3-dimethylbenzenesulfonamide
CID 106919113
N-(3-amino-4-ethylphenyl)-4-fluoro-N-methylbenzenesulfonamide
CID 39444301
3-chloro-N-(4-fluorophenyl)-4-(hydroxymethyl)-N-methylbenzenesulfonamide
CID 107090740
4-(aminomethyl)-N,3-dimethyl-N-pyridin-2-ylbenzenesulfonamide
CID 106919095
(4-ethylsulfonyl-2-methylphenyl)methanamine
CID 112594406
4-(aminomethyl)-N,3-dimethyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 106919163
N-(4-aminophenyl)-N,3,4-trimethylbenzenesulfonamide
CID 28941396
4-(aminomethyl)-3-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide
CID 106919184
N-(4-bromophenyl)-4-fluoro-N-methylbenzenesulfonamide
CID 100502341
N-(4-fluorophenyl)-N-methyl-4-methylsulfanylbenzenesulfonamide
CID 49189224
4-(aminomethyl)-N,3-dimethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 106919156
2-[[4-(aminomethyl)-3-methylphenyl]sulfonyl-ethylamino]-N,N-dimethylacetamide
CID 106919187

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(4-fluorophenyl)-N,3-dimethylbenzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(4-fluorophenyl)-N,3-dimethylbenzenesulfonamide (CID 106919334) is 4-(aminomethyl)-N-(4-fluorophenyl)-N,3-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(4-fluorophenyl)-N,3-dimethylbenzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(4-fluorophenyl)-N,3-dimethylbenzenesulfonamide is Cc1cc(S(=O)(=O)N(C)c2ccc(F)cc2)ccc1CN.
What is the InChIKey of 4-(aminomethyl)-N-(4-fluorophenyl)-N,3-dimethylbenzenesulfonamide?
The InChIKey is LIZDOIKNSJMBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c1-11-9-15(8-3-12(11)10-17)21(19,20)18(2)14-6-4-13(16)5-7-14/h3-9H,10,17H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-(4-fluorophenyl)-N,3-dimethylbenzenesulfonamide?
4-(aminomethyl)-N-(4-fluorophenyl)-N,3-dimethylbenzenesulfonamide has a molecular weight of 308.38 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(4-fluorophenyl)-N,3-dimethylbenzenesulfonamide is sourced from PubChem (CID 106919334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).