3-bromo-N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]thiophene-2-sulfonamide

C12H14BrN3O3S2 — CID 61456047

IUPAC3-bromo-N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]thiophene-2-sulfonamide
SMILESCOc1nccc(N(C)C)c1NS(=O)(=O)c1sccc1Br
InChIInChI=1S/C12H14BrN3O3S2/c1-16(2)9-4-6-14-11(19-3)10(9)15-21(17,18)12-8(13)5-7-20-12/h4-7,15H,1-3H3
InChIKeySVKRYUMZPABMGS-UHFFFAOYSA-N
MW392.30 g/mol
LogP2.78
Rot. Bonds5

About 3-bromo-N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]thiophene-2-sulfonamide

3-bromo-N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]thiophene-2-sulfonamide (PubChem CID 61456047) has the molecular formula C12H14BrN3O3S2 and a molecular weight of 392.30 g/mol. Its IUPAC name is 3-bromo-N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name3-bromo-N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]thiophene-2-sulfonamide
PubChem CID61456047
Molecular FormulaC12H14BrN3O3S2
Molecular Weight392.30 g/mol
Exact Mass390.97
IUPAC Name3-bromo-N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]thiophene-2-sulfonamide
SMILESCOc1nccc(N(C)C)c1NS(=O)(=O)c1sccc1Br
InChIInChI=1S/C12H14BrN3O3S2/c1-16(2)9-4-6-14-11(19-3)10(9)15-21(17,18)12-8(13)5-7-20-12/h4-7,15H,1-3H3
InChIKeySVKRYUMZPABMGS-UHFFFAOYSA-N
XLogP2.78
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.30
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-bromo-N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]thiophene-2-carboxamide
CID 63172401
3-bromo-N-[4-(dimethylamino)-3-pyridinyl]thiophene-2-sulfonamide
CID 61456046
2-methoxy-4-N,4-N-dimethyl-3-N-(2-methyl-1-thiophen-2-ylpropyl)pyridine-3,4-diamine
CID 43779993
2-[[4-(dimethylamino)-2-methoxy-3-pyridinyl]amino]propanoic acid
CID 66174302
3-bromo-N-(3-bromo-4-methoxyphenyl)thiophene-2-sulfonamide
CID 63997607
3-bromo-N-[[2-(dimethylamino)-4-pyridinyl]methyl]thiophene-2-sulfonamide
CID 87032497
2-methoxy-4-N,4-N-dimethyl-3-N-(3-methylbutan-2-yl)pyridine-3,4-diamine
CID 43678979
3-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-methoxy-4-N,4-N-dimethylpyridine-3,4-diamine
CID 102831966
3-bromo-N-(4-bromo-2,6-dichlorophenyl)thiophene-2-sulfonamide
CID 61456465
3-N-heptan-4-yl-2-methoxy-4-N,4-N-dimethylpyridine-3,4-diamine
CID 43678972
3-N-cyclopentyl-2-methoxy-4-N,4-N-dimethylpyridine-3,4-diamine
CID 43678920
3-bromo-N-(4,6-dimethylpyrimidin-2-yl)thiophene-2-sulfonamide
CID 54951923

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]thiophene-2-sulfonamide?
The IUPAC name of 3-bromo-N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]thiophene-2-sulfonamide (CID 61456047) is 3-bromo-N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]thiophene-2-sulfonamide.
What is the SMILES notation for 3-bromo-N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]thiophene-2-sulfonamide?
The canonical SMILES for 3-bromo-N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]thiophene-2-sulfonamide is COc1nccc(N(C)C)c1NS(=O)(=O)c1sccc1Br.
What is the InChIKey of 3-bromo-N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]thiophene-2-sulfonamide?
The InChIKey is SVKRYUMZPABMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O3S2/c1-16(2)9-4-6-14-11(19-3)10(9)15-21(17,18)12-8(13)5-7-20-12/h4-7,15H,1-3H3.
What are the key properties of 3-bromo-N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]thiophene-2-sulfonamide?
3-bromo-N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]thiophene-2-sulfonamide has a molecular weight of 392.30 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]thiophene-2-sulfonamide is sourced from PubChem (CID 61456047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).