6-(2-bromoprop-2-enylamino)-N,N-dimethylpyridine-3-sulfonamide

C10H14BrN3O2S — CID 113227585

IUPAC6-(2-bromoprop-2-enylamino)-N,N-dimethylpyridine-3-sulfonamide
SMILESC=C(Br)CNc1ccc(S(=O)(=O)N(C)C)cn1
InChIInChI=1S/C10H14BrN3O2S/c1-8(11)6-12-10-5-4-9(7-13-10)17(15,16)14(2)3/h4-5,7H,1,6H2,2-3H3,(H,12,13)
InChIKeyFGKWYPPWGMMGOD-UHFFFAOYSA-N
MW320.21 g/mol
LogP1.65
Rot. Bonds5

About 6-(2-bromoprop-2-enylamino)-N,N-dimethylpyridine-3-sulfonamide

6-(2-bromoprop-2-enylamino)-N,N-dimethylpyridine-3-sulfonamide (PubChem CID 113227585) has the molecular formula C10H14BrN3O2S and a molecular weight of 320.21 g/mol. Its IUPAC name is 6-(2-bromoprop-2-enylamino)-N,N-dimethylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(2-bromoprop-2-enylamino)-N,N-dimethylpyridine-3-sulfonamide
PubChem CID113227585
Molecular FormulaC10H14BrN3O2S
Molecular Weight320.21 g/mol
Exact Mass319.00
IUPAC Name6-(2-bromoprop-2-enylamino)-N,N-dimethylpyridine-3-sulfonamide
SMILESC=C(Br)CNc1ccc(S(=O)(=O)N(C)C)cn1
InChIInChI=1S/C10H14BrN3O2S/c1-8(11)6-12-10-5-4-9(7-13-10)17(15,16)14(2)3/h4-5,7H,1,6H2,2-3H3,(H,12,13)
InChIKeyFGKWYPPWGMMGOD-UHFFFAOYSA-N
XLogP1.65
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.21
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]-N-ethyl-N-methylacetamide
CID 104925729
N,N-dimethyl-6-(prop-2-ynylamino)pyridine-3-sulfonamide
CID 103340991
6-(cyclopropylmethylamino)-N,N-dimethylpyridine-3-sulfonamide
CID 113234561
6-(2-aminopropylamino)-N,N-dimethylpyridine-3-sulfonamide
CID 103341130
6-[(2-methoxy-2-methylpropyl)amino]-N,N-dimethylpyridine-3-sulfonamide
CID 103704076
N,N-dimethyl-6-(pyridin-4-ylmethylamino)pyridine-3-sulfonamide
CID 104999383
6-(2,2-dimethoxyethylamino)-N,N-dimethylpyridine-3-sulfonamide
CID 107389803
6-(2-but-3-enoxyethylamino)-N,N-dimethylpyridine-3-sulfonamide
CID 103853630
N,N-dimethyl-6-(2-propan-2-yloxyethylamino)pyridine-3-sulfonamide
CID 104577001
6-[2-(ethylsulfamoyl)ethylamino]-N,N-dimethylpyridine-3-sulfonamide
CID 106338159
6-[(2-ethyl-4-hydroxybutyl)amino]-N,N-dimethylpyridine-3-sulfonamide
CID 103748498
N,N-dimethyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridine-3-sulfonamide
CID 103703160

Frequently Asked Questions

What is the IUPAC name of 6-(2-bromoprop-2-enylamino)-N,N-dimethylpyridine-3-sulfonamide?
The IUPAC name of 6-(2-bromoprop-2-enylamino)-N,N-dimethylpyridine-3-sulfonamide (CID 113227585) is 6-(2-bromoprop-2-enylamino)-N,N-dimethylpyridine-3-sulfonamide.
What is the SMILES notation for 6-(2-bromoprop-2-enylamino)-N,N-dimethylpyridine-3-sulfonamide?
The canonical SMILES for 6-(2-bromoprop-2-enylamino)-N,N-dimethylpyridine-3-sulfonamide is C=C(Br)CNc1ccc(S(=O)(=O)N(C)C)cn1.
What is the InChIKey of 6-(2-bromoprop-2-enylamino)-N,N-dimethylpyridine-3-sulfonamide?
The InChIKey is FGKWYPPWGMMGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O2S/c1-8(11)6-12-10-5-4-9(7-13-10)17(15,16)14(2)3/h4-5,7H,1,6H2,2-3H3,(H,12,13).
What are the key properties of 6-(2-bromoprop-2-enylamino)-N,N-dimethylpyridine-3-sulfonamide?
6-(2-bromoprop-2-enylamino)-N,N-dimethylpyridine-3-sulfonamide has a molecular weight of 320.21 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bromoprop-2-enylamino)-N,N-dimethylpyridine-3-sulfonamide is sourced from PubChem (CID 113227585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).