3-(aminomethyl)-N-(3-bromo-4-pyridinyl)-4-ethylbenzenesulfonamide

C14H16BrN3O2S — CID 106075981

IUPAC3-(aminomethyl)-N-(3-bromo-4-pyridinyl)-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccncc2Br)cc1CN
InChIInChI=1S/C14H16BrN3O2S/c1-2-10-3-4-12(7-11(10)8-16)21(19,20)18-14-5-6-17-9-13(14)15/h3-7,9H,2,8,16H2,1H3,(H,17,18)
InChIKeyJIFKTOHDXDJUAT-UHFFFAOYSA-N
MW370.27 g/mol
LogP2.67
Rot. Bonds5

About 3-(aminomethyl)-N-(3-bromo-4-pyridinyl)-4-ethylbenzenesulfonamide

3-(aminomethyl)-N-(3-bromo-4-pyridinyl)-4-ethylbenzenesulfonamide (PubChem CID 106075981) has the molecular formula C14H16BrN3O2S and a molecular weight of 370.27 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(3-bromo-4-pyridinyl)-4-ethylbenzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(3-bromo-4-pyridinyl)-4-ethylbenzenesulfonamide
PubChem CID106075981
Molecular FormulaC14H16BrN3O2S
Molecular Weight370.27 g/mol
Exact Mass369.01
IUPAC Name3-(aminomethyl)-N-(3-bromo-4-pyridinyl)-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccncc2Br)cc1CN
InChIInChI=1S/C14H16BrN3O2S/c1-2-10-3-4-12(7-11(10)8-16)21(19,20)18-14-5-6-17-9-13(14)15/h3-7,9H,2,8,16H2,1H3,(H,17,18)
InChIKeyJIFKTOHDXDJUAT-UHFFFAOYSA-N
XLogP2.67
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.27
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-4-ethyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 106063140
4-amino-N-(3-bromo-4-pyridinyl)-3-fluorobenzenesulfonamide
CID 82844736
4-(aminomethyl)-3-methyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 106919393
3-(aminomethyl)-4-ethyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 106071272
3-(aminomethyl)-N-(2-bromophenyl)-4-methoxybenzenesulfonamide
CID 106061150
5-(aminomethyl)-N-(3-bromo-4-pyridinyl)-3-fluoro-2-methylbenzenesulfonamide
CID 106075946
N-(3-bromo-4-pyridinyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106075947
N-(3-bromo-4-pyridinyl)-5-(propylaminomethyl)thiophene-3-sulfonamide
CID 106075951
5-(aminomethyl)-2-ethyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 106063130
3-(aminomethyl)-N-(3-bromo-2-methylphenyl)-4-methylbenzenesulfonamide
CID 106088180
3-(aminomethyl)-4-ethyl-N-(2-imidazol-1-ylethyl)benzenesulfonamide
CID 106018089
4-ethyl-3-(methylaminomethyl)-N-pyridin-3-ylbenzenesulfonamide
CID 106033343

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(3-bromo-4-pyridinyl)-4-ethylbenzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-N-(3-bromo-4-pyridinyl)-4-ethylbenzenesulfonamide (CID 106075981) is 3-(aminomethyl)-N-(3-bromo-4-pyridinyl)-4-ethylbenzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-N-(3-bromo-4-pyridinyl)-4-ethylbenzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-N-(3-bromo-4-pyridinyl)-4-ethylbenzenesulfonamide is CCc1ccc(S(=O)(=O)Nc2ccncc2Br)cc1CN.
What is the InChIKey of 3-(aminomethyl)-N-(3-bromo-4-pyridinyl)-4-ethylbenzenesulfonamide?
The InChIKey is JIFKTOHDXDJUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O2S/c1-2-10-3-4-12(7-11(10)8-16)21(19,20)18-14-5-6-17-9-13(14)15/h3-7,9H,2,8,16H2,1H3,(H,17,18).
What are the key properties of 3-(aminomethyl)-N-(3-bromo-4-pyridinyl)-4-ethylbenzenesulfonamide?
3-(aminomethyl)-N-(3-bromo-4-pyridinyl)-4-ethylbenzenesulfonamide has a molecular weight of 370.27 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(3-bromo-4-pyridinyl)-4-ethylbenzenesulfonamide is sourced from PubChem (CID 106075981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).