3-(aminomethyl)-4-fluoro-5-methyl-N-phenylbenzenesulfonamide

C14H15FN2O2S — CID 81434906

IUPAC3-(aminomethyl)-4-fluoro-5-methyl-N-phenylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccccc2)cc(CN)c1F
InChIInChI=1S/C14H15FN2O2S/c1-10-7-13(8-11(9-16)14(10)15)20(18,19)17-12-5-3-2-4-6-12/h2-8,17H,9,16H2,1H3
InChIKeyDVULXRSEUYHKJN-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.39
Rot. Bonds4

About 3-(aminomethyl)-4-fluoro-5-methyl-N-phenylbenzenesulfonamide

3-(aminomethyl)-4-fluoro-5-methyl-N-phenylbenzenesulfonamide (PubChem CID 81434906) has the molecular formula C14H15FN2O2S and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-(aminomethyl)-4-fluoro-5-methyl-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-4-fluoro-5-methyl-N-phenylbenzenesulfonamide
PubChem CID81434906
Molecular FormulaC14H15FN2O2S
Molecular Weight294.35 g/mol
Exact Mass294.08
IUPAC Name3-(aminomethyl)-4-fluoro-5-methyl-N-phenylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccccc2)cc(CN)c1F
InChIInChI=1S/C14H15FN2O2S/c1-10-7-13(8-11(9-16)14(10)15)20(18,19)17-12-5-3-2-4-6-12/h2-8,17H,9,16H2,1H3
InChIKeyDVULXRSEUYHKJN-UHFFFAOYSA-N
XLogP2.39
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N-tert-butyl-4-fluoro-5-methylbenzenesulfonamide
CID 81435748
3-(aminomethyl)-4-fluoro-5-methyl-N-piperidin-1-ylbenzenesulfonamide
CID 106075398
3-(aminomethyl)-4-fluoro-5-methyl-N-(1-methylcyclopropyl)benzenesulfonamide
CID 113486198
3-amino-4-fluoro-5-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 115421074
3-(aminomethyl)-N-(3-fluoro-4-methylphenyl)-4-methylbenzenesulfonamide
CID 107482637
3-(aminomethyl)-4-fluoro-5-methyl-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106423882
2-fluoroethanamine;N-phenylbenzenesulfonamide
CID 175323476
3-(aminomethyl)-N-(3-fluoro-5-methylphenyl)-4-methylbenzenesulfonamide
CID 106070501
3-amino-N-(4-bromophenyl)-4-fluoro-5-methylbenzenesulfonamide
CID 115421089
3-(aminomethyl)-N-(3,5-dimethylphenyl)-4-fluorobenzenesulfonamide
CID 28716951
3-(aminomethyl)-4-fluoro-5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 81427952
6-amino-5-methyl-N-phenylpyridine-3-sulfonamide
CID 82485974

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4-fluoro-5-methyl-N-phenylbenzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-4-fluoro-5-methyl-N-phenylbenzenesulfonamide (CID 81434906) is 3-(aminomethyl)-4-fluoro-5-methyl-N-phenylbenzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-4-fluoro-5-methyl-N-phenylbenzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-4-fluoro-5-methyl-N-phenylbenzenesulfonamide is Cc1cc(S(=O)(=O)Nc2ccccc2)cc(CN)c1F.
What is the InChIKey of 3-(aminomethyl)-4-fluoro-5-methyl-N-phenylbenzenesulfonamide?
The InChIKey is DVULXRSEUYHKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2S/c1-10-7-13(8-11(9-16)14(10)15)20(18,19)17-12-5-3-2-4-6-12/h2-8,17H,9,16H2,1H3.
What are the key properties of 3-(aminomethyl)-4-fluoro-5-methyl-N-phenylbenzenesulfonamide?
3-(aminomethyl)-4-fluoro-5-methyl-N-phenylbenzenesulfonamide has a molecular weight of 294.35 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-4-fluoro-5-methyl-N-phenylbenzenesulfonamide is sourced from PubChem (CID 81434906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).