3-(aminomethyl)-N-(3-bromo-2-pyridinyl)-4-chloro-5-fluorobenzenesulfonamide

C12H10BrClFN3O2S — CID 106062235

IUPAC3-(aminomethyl)-N-(3-bromo-2-pyridinyl)-4-chloro-5-fluorobenzenesulfonamide
SMILESNCc1cc(S(=O)(=O)Nc2ncccc2Br)cc(F)c1Cl
InChIInChI=1S/C12H10BrClFN3O2S/c13-9-2-1-3-17-12(9)18-21(19,20)8-4-7(6-16)11(14)10(15)5-8/h1-5H,6,16H2,(H,17,18)
InChIKeyGJCJZTMVWUXRCR-UHFFFAOYSA-N
MW394.65 g/mol
LogP2.90
Rot. Bonds4

About 3-(aminomethyl)-N-(3-bromo-2-pyridinyl)-4-chloro-5-fluorobenzenesulfonamide

3-(aminomethyl)-N-(3-bromo-2-pyridinyl)-4-chloro-5-fluorobenzenesulfonamide (PubChem CID 106062235) has the molecular formula C12H10BrClFN3O2S and a molecular weight of 394.65 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(3-bromo-2-pyridinyl)-4-chloro-5-fluorobenzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(3-bromo-2-pyridinyl)-4-chloro-5-fluorobenzenesulfonamide
PubChem CID106062235
Molecular FormulaC12H10BrClFN3O2S
Molecular Weight394.65 g/mol
Exact Mass392.93
IUPAC Name3-(aminomethyl)-N-(3-bromo-2-pyridinyl)-4-chloro-5-fluorobenzenesulfonamide
SMILESNCc1cc(S(=O)(=O)Nc2ncccc2Br)cc(F)c1Cl
InChIInChI=1S/C12H10BrClFN3O2S/c13-9-2-1-3-17-12(9)18-21(19,20)8-4-7(6-16)11(14)10(15)5-8/h1-5H,6,16H2,(H,17,18)
InChIKeyGJCJZTMVWUXRCR-UHFFFAOYSA-N
XLogP2.90
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.65
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-(3-bromo-2-pyridinyl)-3-chlorobenzenesulfonamide
CID 106062257
4-amino-N-(3-bromo-2-pyridinyl)-3-fluorobenzenesulfonamide
CID 82843664
3-(aminomethyl)-N-(3-bromophenyl)-4-chloro-5-fluorobenzenesulfonamide
CID 106061634
N-(3-bromo-2-pyridinyl)-4-chloro-3-(methylaminomethyl)benzenesulfonamide
CID 106062122
3-(aminomethyl)-4-chloro-5-fluoro-N-pyrimidin-5-ylbenzenesulfonamide
CID 106088755
3-amino-N-(3-bromo-2-pyridinyl)-4-fluoro-5-methylbenzenesulfonamide
CID 115421695
3-(aminomethyl)-4-chloro-5-fluoro-N-thiophen-3-ylbenzenesulfonamide
CID 106070126
3-(aminomethyl)-4-chloro-N-cyclohexyl-5-fluorobenzenesulfonamide
CID 81456909
5-amino-4-bromo-N-(3-bromo-2-pyridinyl)-2-fluorobenzenesulfonamide
CID 116530437
3-(aminomethyl)-4-chloro-5-fluoro-N-(2-fluoroethyl)benzenesulfonamide
CID 114267220
5-(aminomethyl)-2-bromo-N-(3-bromo-2-pyridinyl)furan-3-sulfonamide
CID 106062158
3-(aminomethyl)-4-chloro-5-fluoro-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 81458041

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(3-bromo-2-pyridinyl)-4-chloro-5-fluorobenzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-N-(3-bromo-2-pyridinyl)-4-chloro-5-fluorobenzenesulfonamide (CID 106062235) is 3-(aminomethyl)-N-(3-bromo-2-pyridinyl)-4-chloro-5-fluorobenzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-N-(3-bromo-2-pyridinyl)-4-chloro-5-fluorobenzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-N-(3-bromo-2-pyridinyl)-4-chloro-5-fluorobenzenesulfonamide is NCc1cc(S(=O)(=O)Nc2ncccc2Br)cc(F)c1Cl.
What is the InChIKey of 3-(aminomethyl)-N-(3-bromo-2-pyridinyl)-4-chloro-5-fluorobenzenesulfonamide?
The InChIKey is GJCJZTMVWUXRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClFN3O2S/c13-9-2-1-3-17-12(9)18-21(19,20)8-4-7(6-16)11(14)10(15)5-8/h1-5H,6,16H2,(H,17,18).
What are the key properties of 3-(aminomethyl)-N-(3-bromo-2-pyridinyl)-4-chloro-5-fluorobenzenesulfonamide?
3-(aminomethyl)-N-(3-bromo-2-pyridinyl)-4-chloro-5-fluorobenzenesulfonamide has a molecular weight of 394.65 g/mol, XLogP of 2.90, 4 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-2-pyridinyl)-4-chloro-5-fluorobenzenesulfonamide is sourced from PubChem (CID 106062235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).