6-[1-(4-bromophenyl)ethylamino]-N-methylpyridine-3-sulfonamide

C14H16BrN3O2S — CID 133299268

IUPAC6-[1-(4-bromophenyl)ethylamino]-N-methylpyridine-3-sulfonamide
SMILESCNS(=O)(=O)c1ccc(NC(C)c2ccc(Br)cc2)nc1
InChIInChI=1S/C14H16BrN3O2S/c1-10(11-3-5-12(15)6-4-11)18-14-8-7-13(9-17-14)21(19,20)16-2/h3-10,16H,1-2H3,(H,17,18)
InChIKeyCOFNXAQMSKXITN-UHFFFAOYSA-N
MW370.27 g/mol
LogP2.93
Rot. Bonds5

About 6-[1-(4-bromophenyl)ethylamino]-N-methylpyridine-3-sulfonamide

6-[1-(4-bromophenyl)ethylamino]-N-methylpyridine-3-sulfonamide (PubChem CID 133299268) has the molecular formula C14H16BrN3O2S and a molecular weight of 370.27 g/mol. Its IUPAC name is 6-[1-(4-bromophenyl)ethylamino]-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[1-(4-bromophenyl)ethylamino]-N-methylpyridine-3-sulfonamide
PubChem CID133299268
Molecular FormulaC14H16BrN3O2S
Molecular Weight370.27 g/mol
Exact Mass369.01
IUPAC Name6-[1-(4-bromophenyl)ethylamino]-N-methylpyridine-3-sulfonamide
SMILESCNS(=O)(=O)c1ccc(NC(C)c2ccc(Br)cc2)nc1
InChIInChI=1S/C14H16BrN3O2S/c1-10(11-3-5-12(15)6-4-11)18-14-8-7-13(9-17-14)21(19,20)16-2/h3-10,16H,1-2H3,(H,17,18)
InChIKeyCOFNXAQMSKXITN-UHFFFAOYSA-N
XLogP2.93
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.27
LogP ≤ 52.93
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-methyl-6-[1-(2-pyrazol-1-ylphenyl)ethylamino]pyridine-3-sulfonamide
CID 133361525
6-(ethylamino)-N-methylpyridine-3-sulfonamide
CID 62150384
6-(cyclopent-3-en-1-ylamino)-N-methylpyridine-3-sulfonamide
CID 133362208
6-[[2-(dimethylamino)-2-(4-methylphenyl)ethyl]amino]-N-methylpyridine-3-sulfonamide
CID 133299226
6-(propan-2-ylamino)-N-propylpyridine-3-sulfonamide
CID 98016847
4-(1-aminoethyl)-N-(5-bromo-2-pyridinyl)benzenesulfonamide
CID 43114385
6-[[(4-fluorophenyl)-(3-methylsulfonylphenyl)methyl]amino]-N-methylpyridine-3-sulfonamide
CID 154839031
N-[1-(4-bromophenyl)ethyl]-2-chloropyrimidin-4-amine
CID 62342465
6-[(2-bromophenyl)methylamino]-N-methylpyridine-3-sulfonamide
CID 133304167
N-methyl-6-[(1-phenyl-2-pyrrolidin-1-ylethyl)amino]pyridine-3-sulfonamide
CID 133316598
N-[1-(4-propan-2-ylsulfanylphenyl)ethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 133287490

Frequently Asked Questions

What is the IUPAC name of 6-[1-(4-bromophenyl)ethylamino]-N-methylpyridine-3-sulfonamide?
The IUPAC name of 6-[1-(4-bromophenyl)ethylamino]-N-methylpyridine-3-sulfonamide (CID 133299268) is 6-[1-(4-bromophenyl)ethylamino]-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for 6-[1-(4-bromophenyl)ethylamino]-N-methylpyridine-3-sulfonamide?
The canonical SMILES for 6-[1-(4-bromophenyl)ethylamino]-N-methylpyridine-3-sulfonamide is CNS(=O)(=O)c1ccc(NC(C)c2ccc(Br)cc2)nc1.
What is the InChIKey of 6-[1-(4-bromophenyl)ethylamino]-N-methylpyridine-3-sulfonamide?
The InChIKey is COFNXAQMSKXITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O2S/c1-10(11-3-5-12(15)6-4-11)18-14-8-7-13(9-17-14)21(19,20)16-2/h3-10,16H,1-2H3,(H,17,18).
What are the key properties of 6-[1-(4-bromophenyl)ethylamino]-N-methylpyridine-3-sulfonamide?
6-[1-(4-bromophenyl)ethylamino]-N-methylpyridine-3-sulfonamide has a molecular weight of 370.27 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(4-bromophenyl)ethylamino]-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 133299268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).