6-amino-5-chloro-N-[(3,4-difluorophenyl)methyl]pyridine-3-sulfonamide

C12H10ClF2N3O2S — CID 64602447

IUPAC6-amino-5-chloro-N-[(3,4-difluorophenyl)methyl]pyridine-3-sulfonamide
SMILESNc1ncc(S(=O)(=O)NCc2ccc(F)c(F)c2)cc1Cl
InChIInChI=1S/C12H10ClF2N3O2S/c13-9-4-8(6-17-12(9)16)21(19,20)18-5-7-1-2-10(14)11(15)3-7/h1-4,6,18H,5H2,(H2,16,17)
InChIKeyUGYUMSMNEASBAZ-UHFFFAOYSA-N
MW333.75 g/mol
LogP2.07
Rot. Bonds4

About 6-amino-5-chloro-N-[(3,4-difluorophenyl)methyl]pyridine-3-sulfonamide

6-amino-5-chloro-N-[(3,4-difluorophenyl)methyl]pyridine-3-sulfonamide (PubChem CID 64602447) has the molecular formula C12H10ClF2N3O2S and a molecular weight of 333.75 g/mol. Its IUPAC name is 6-amino-5-chloro-N-[(3,4-difluorophenyl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-amino-5-chloro-N-[(3,4-difluorophenyl)methyl]pyridine-3-sulfonamide
PubChem CID64602447
Molecular FormulaC12H10ClF2N3O2S
Molecular Weight333.75 g/mol
Exact Mass333.02
IUPAC Name6-amino-5-chloro-N-[(3,4-difluorophenyl)methyl]pyridine-3-sulfonamide
SMILESNc1ncc(S(=O)(=O)NCc2ccc(F)c(F)c2)cc1Cl
InChIInChI=1S/C12H10ClF2N3O2S/c13-9-4-8(6-17-12(9)16)21(19,20)18-5-7-1-2-10(14)11(15)3-7/h1-4,6,18H,5H2,(H2,16,17)
InChIKeyUGYUMSMNEASBAZ-UHFFFAOYSA-N
XLogP2.07
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.75
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-amino-5-chloro-N-[2-(4-fluorophenyl)ethyl]pyridine-3-sulfonamide
CID 64606219
5,6-dichloro-N-[(4-chlorophenyl)methyl]pyridine-3-sulfonamide
CID 64623963
N-[(3,4-difluorophenyl)methyl]-2-(methylamino)pyrimidine-5-sulfonamide
CID 62158054
4-amino-3-chloro-N-[(3-chloro-4-fluorophenyl)methyl]benzenesulfonamide
CID 115330027
6-amino-N-[(4-chlorophenyl)methyl]pyridine-3-sulfonamide
CID 62162273
6-amino-5-chloro-N-(2-methylpropyl)pyridine-3-sulfonamide
CID 64607743
3-chloro-N-[(4-chlorophenyl)methyl]-4-fluorobenzenesulfonamide
CID 26945724
3-amino-4-chloro-N-[(3-chloro-4-fluorophenyl)methyl]benzenesulfonamide
CID 62539057
3-amino-N-[(3-chloro-4-fluorophenyl)methyl]-5-fluorobenzenesulfonamide
CID 63322498
6-amino-5-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridine-3-sulfonamide
CID 64601679
6-amino-5-chloro-N',N'-dimethylpyridine-3-sulfonohydrazide
CID 83023337
6-amino-5-chloro-N-(2,3-difluorophenyl)pyridine-3-sulfonamide
CID 64600885

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-chloro-N-[(3,4-difluorophenyl)methyl]pyridine-3-sulfonamide?
The IUPAC name of 6-amino-5-chloro-N-[(3,4-difluorophenyl)methyl]pyridine-3-sulfonamide (CID 64602447) is 6-amino-5-chloro-N-[(3,4-difluorophenyl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-amino-5-chloro-N-[(3,4-difluorophenyl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for 6-amino-5-chloro-N-[(3,4-difluorophenyl)methyl]pyridine-3-sulfonamide is Nc1ncc(S(=O)(=O)NCc2ccc(F)c(F)c2)cc1Cl.
What is the InChIKey of 6-amino-5-chloro-N-[(3,4-difluorophenyl)methyl]pyridine-3-sulfonamide?
The InChIKey is UGYUMSMNEASBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF2N3O2S/c13-9-4-8(6-17-12(9)16)21(19,20)18-5-7-1-2-10(14)11(15)3-7/h1-4,6,18H,5H2,(H2,16,17).
What are the key properties of 6-amino-5-chloro-N-[(3,4-difluorophenyl)methyl]pyridine-3-sulfonamide?
6-amino-5-chloro-N-[(3,4-difluorophenyl)methyl]pyridine-3-sulfonamide has a molecular weight of 333.75 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-chloro-N-[(3,4-difluorophenyl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 64602447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).