6-amino-N-[1-(4-bromophenyl)ethyl]-5-chloropyridine-3-sulfonamide

C13H13BrClN3O2S — CID 64601294

IUPAC6-amino-N-[1-(4-bromophenyl)ethyl]-5-chloropyridine-3-sulfonamide
SMILESCC(NS(=O)(=O)c1cnc(N)c(Cl)c1)c1ccc(Br)cc1
InChIInChI=1S/C13H13BrClN3O2S/c1-8(9-2-4-10(14)5-3-9)18-21(19,20)11-6-12(15)13(16)17-7-11/h2-8,18H,1H3,(H2,16,17)
InChIKeyCYFKJACBHRAHJI-UHFFFAOYSA-N
MW390.69 g/mol
LogP3.12
Rot. Bonds4

About 6-amino-N-[1-(4-bromophenyl)ethyl]-5-chloropyridine-3-sulfonamide

6-amino-N-[1-(4-bromophenyl)ethyl]-5-chloropyridine-3-sulfonamide (PubChem CID 64601294) has the molecular formula C13H13BrClN3O2S and a molecular weight of 390.69 g/mol. Its IUPAC name is 6-amino-N-[1-(4-bromophenyl)ethyl]-5-chloropyridine-3-sulfonamide.

Molecular Properties

Compound Name6-amino-N-[1-(4-bromophenyl)ethyl]-5-chloropyridine-3-sulfonamide
PubChem CID64601294
Molecular FormulaC13H13BrClN3O2S
Molecular Weight390.69 g/mol
Exact Mass388.96
IUPAC Name6-amino-N-[1-(4-bromophenyl)ethyl]-5-chloropyridine-3-sulfonamide
SMILESCC(NS(=O)(=O)c1cnc(N)c(Cl)c1)c1ccc(Br)cc1
InChIInChI=1S/C13H13BrClN3O2S/c1-8(9-2-4-10(14)5-3-9)18-21(19,20)11-6-12(15)13(16)17-7-11/h2-8,18H,1H3,(H2,16,17)
InChIKeyCYFKJACBHRAHJI-UHFFFAOYSA-N
XLogP3.12
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.69
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-amino-N-[(1R)-1-(4-bromophenyl)ethyl]pyridine-3-sulfonamide
CID 107868859
N-[(1S)-1-(4-bromophenyl)ethyl]-3-chloro-4-methoxybenzenesulfonamide
CID 28560375
6-amino-N-(5-bromo-2-methylphenyl)-5-chloropyridine-3-sulfonamide
CID 64602240
6-amino-5-chloro-N-(1-cyclopropylethyl)pyridine-3-sulfonamide
CID 64609097
6-amino-5-chloro-N-(2-methylpropyl)pyridine-3-sulfonamide
CID 64607743
5-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-4-chlorothiophene-2-sulfonamide
CID 107868984
N-[1-(4-bromophenyl)ethyl]-2-chloro-4-fluorobenzenesulfonamide
CID 3463854
2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-4-fluorobenzenesulfonamide
CID 107869105
4-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-3-fluorobenzenesulfonamide
CID 107868868
N-[1-(4-bromophenyl)ethyl]-2-chloro-1,3-thiazole-5-sulfonamide
CID 61053705
4-bromo-2-chloro-N-[1-(4-chlorophenyl)ethyl]benzenesulfonamide
CID 60639502
4-bromo-N-[1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide
CID 133165405

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[1-(4-bromophenyl)ethyl]-5-chloropyridine-3-sulfonamide?
The IUPAC name of 6-amino-N-[1-(4-bromophenyl)ethyl]-5-chloropyridine-3-sulfonamide (CID 64601294) is 6-amino-N-[1-(4-bromophenyl)ethyl]-5-chloropyridine-3-sulfonamide.
What is the SMILES notation for 6-amino-N-[1-(4-bromophenyl)ethyl]-5-chloropyridine-3-sulfonamide?
The canonical SMILES for 6-amino-N-[1-(4-bromophenyl)ethyl]-5-chloropyridine-3-sulfonamide is CC(NS(=O)(=O)c1cnc(N)c(Cl)c1)c1ccc(Br)cc1.
What is the InChIKey of 6-amino-N-[1-(4-bromophenyl)ethyl]-5-chloropyridine-3-sulfonamide?
The InChIKey is CYFKJACBHRAHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClN3O2S/c1-8(9-2-4-10(14)5-3-9)18-21(19,20)11-6-12(15)13(16)17-7-11/h2-8,18H,1H3,(H2,16,17).
What are the key properties of 6-amino-N-[1-(4-bromophenyl)ethyl]-5-chloropyridine-3-sulfonamide?
6-amino-N-[1-(4-bromophenyl)ethyl]-5-chloropyridine-3-sulfonamide has a molecular weight of 390.69 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[1-(4-bromophenyl)ethyl]-5-chloropyridine-3-sulfonamide is sourced from PubChem (CID 64601294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).