2-amino-5-bromo-4-fluoro-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide

C13H13BrFN3O2S — CID 106492166

IUPAC2-amino-5-bromo-4-fluoro-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
SMILESCc1cnccc1CNS(=O)(=O)c1cc(Br)c(F)cc1N
InChIInChI=1S/C13H13BrFN3O2S/c1-8-6-17-3-2-9(8)7-18-21(19,20)13-4-10(14)11(15)5-12(13)16/h2-6,18H,7,16H2,1H3
InChIKeyRFROIBBZJWCHCW-UHFFFAOYSA-N
MW374.24 g/mol
LogP2.35
Rot. Bonds4

About 2-amino-5-bromo-4-fluoro-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide

2-amino-5-bromo-4-fluoro-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide (PubChem CID 106492166) has the molecular formula C13H13BrFN3O2S and a molecular weight of 374.24 g/mol. Its IUPAC name is 2-amino-5-bromo-4-fluoro-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-4-fluoro-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
PubChem CID106492166
Molecular FormulaC13H13BrFN3O2S
Molecular Weight374.24 g/mol
Exact Mass372.99
IUPAC Name2-amino-5-bromo-4-fluoro-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
SMILESCc1cnccc1CNS(=O)(=O)c1cc(Br)c(F)cc1N
InChIInChI=1S/C13H13BrFN3O2S/c1-8-6-17-3-2-9(8)7-18-21(19,20)13-4-10(14)11(15)5-12(13)16/h2-6,18H,7,16H2,1H3
InChIKeyRFROIBBZJWCHCW-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-bromo-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
CID 114698297
4-amino-2-bromo-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
CID 114698284
4-amino-2,6-difluoro-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
CID 114698255
5-amino-2-chloro-4-methyl-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
CID 114698332
2-amino-5-bromo-4-fluoro-N-[(4-methylthiophen-3-yl)methyl]benzenesulfonamide
CID 106491931
2-amino-5-bromo-4-fluoro-N-[(6-methyl-3-pyridinyl)methyl]benzenesulfonamide
CID 106491747
4-(aminomethyl)-2-bromo-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
CID 106083522
5-(aminomethyl)-2-bromo-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
CID 106083558
2-amino-5-bromo-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide
CID 114954439
4-amino-2,6-dimethyl-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
CID 114698288
2-amino-5-bromo-4-fluoro-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 106491482
3-(aminomethyl)-4-fluoro-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
CID 114699441

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-4-fluoro-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide?
The IUPAC name of 2-amino-5-bromo-4-fluoro-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide (CID 106492166) is 2-amino-5-bromo-4-fluoro-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-amino-5-bromo-4-fluoro-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide?
The canonical SMILES for 2-amino-5-bromo-4-fluoro-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide is Cc1cnccc1CNS(=O)(=O)c1cc(Br)c(F)cc1N.
What is the InChIKey of 2-amino-5-bromo-4-fluoro-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide?
The InChIKey is RFROIBBZJWCHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFN3O2S/c1-8-6-17-3-2-9(8)7-18-21(19,20)13-4-10(14)11(15)5-12(13)16/h2-6,18H,7,16H2,1H3.
What are the key properties of 2-amino-5-bromo-4-fluoro-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide?
2-amino-5-bromo-4-fluoro-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide has a molecular weight of 374.24 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-4-fluoro-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide is sourced from PubChem (CID 106492166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).