5-(aminomethyl)-N-(3-bromo-4-pyridinyl)-3-fluoro-2-methylbenzenesulfonamide

C13H13BrFN3O2S — CID 106075946

IUPAC5-(aminomethyl)-N-(3-bromo-4-pyridinyl)-3-fluoro-2-methylbenzenesulfonamide
SMILESCc1c(F)cc(CN)cc1S(=O)(=O)Nc1ccncc1Br
InChIInChI=1S/C13H13BrFN3O2S/c1-8-11(15)4-9(6-16)5-13(8)21(19,20)18-12-2-3-17-7-10(12)14/h2-5,7H,6,16H2,1H3,(H,17,18)
InChIKeyKIVWFGWYESCVAP-UHFFFAOYSA-N
MW374.24 g/mol
LogP2.55
Rot. Bonds4

About 5-(aminomethyl)-N-(3-bromo-4-pyridinyl)-3-fluoro-2-methylbenzenesulfonamide

5-(aminomethyl)-N-(3-bromo-4-pyridinyl)-3-fluoro-2-methylbenzenesulfonamide (PubChem CID 106075946) has the molecular formula C13H13BrFN3O2S and a molecular weight of 374.24 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(3-bromo-4-pyridinyl)-3-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(3-bromo-4-pyridinyl)-3-fluoro-2-methylbenzenesulfonamide
PubChem CID106075946
Molecular FormulaC13H13BrFN3O2S
Molecular Weight374.24 g/mol
Exact Mass372.99
IUPAC Name5-(aminomethyl)-N-(3-bromo-4-pyridinyl)-3-fluoro-2-methylbenzenesulfonamide
SMILESCc1c(F)cc(CN)cc1S(=O)(=O)Nc1ccncc1Br
InChIInChI=1S/C13H13BrFN3O2S/c1-8-11(15)4-9(6-16)5-13(8)21(19,20)18-12-2-3-17-7-10(12)14/h2-5,7H,6,16H2,1H3,(H,17,18)
InChIKeyKIVWFGWYESCVAP-UHFFFAOYSA-N
XLogP2.55
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.24
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-3-fluoro-2-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 79896756
5-amino-3-fluoro-2-methyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 79897021
5-(aminomethyl)-3-fluoro-2-methyl-N-(1,2,4-triazin-3-yl)benzenesulfonamide
CID 106081921
5-(aminomethyl)-3-fluoro-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 106060941
4-amino-N-(3-bromo-4-pyridinyl)-3-fluorobenzenesulfonamide
CID 82844736
3-(aminomethyl)-N-(3-bromo-4-pyridinyl)-4-ethylbenzenesulfonamide
CID 106075981
4-(aminomethyl)-N-(3-bromo-2-methylphenyl)-2-fluorobenzenesulfonamide
CID 106088177
4-(aminomethyl)-N-(2,5-dibromophenyl)-2-fluorobenzenesulfonamide
CID 106007285
N-(2-bromo-5-fluorophenyl)-4-(methylamino)pyridine-3-sulfonamide
CID 107630794
4-bromo-N-(3-fluoro-4-pyridinyl)-2-methylbenzenesulfonamide
CID 86796625
4-[[3-aminopropyl(methyl)sulfamoyl]amino]-3-bromopyridine
CID 106076050
4-amino-2-fluoro-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 63667957

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(3-bromo-4-pyridinyl)-3-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(3-bromo-4-pyridinyl)-3-fluoro-2-methylbenzenesulfonamide (CID 106075946) is 5-(aminomethyl)-N-(3-bromo-4-pyridinyl)-3-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(3-bromo-4-pyridinyl)-3-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(3-bromo-4-pyridinyl)-3-fluoro-2-methylbenzenesulfonamide is Cc1c(F)cc(CN)cc1S(=O)(=O)Nc1ccncc1Br.
What is the InChIKey of 5-(aminomethyl)-N-(3-bromo-4-pyridinyl)-3-fluoro-2-methylbenzenesulfonamide?
The InChIKey is KIVWFGWYESCVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFN3O2S/c1-8-11(15)4-9(6-16)5-13(8)21(19,20)18-12-2-3-17-7-10(12)14/h2-5,7H,6,16H2,1H3,(H,17,18).
What are the key properties of 5-(aminomethyl)-N-(3-bromo-4-pyridinyl)-3-fluoro-2-methylbenzenesulfonamide?
5-(aminomethyl)-N-(3-bromo-4-pyridinyl)-3-fluoro-2-methylbenzenesulfonamide has a molecular weight of 374.24 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(3-bromo-4-pyridinyl)-3-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 106075946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).