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

C12H14BrN3O2S2 — CID 87032497

IUPAC3-bromo-N-[[2-(dimethylamino)-4-pyridinyl]methyl]thiophene-2-sulfonamide
SMILESCN(C)c1cc(CNS(=O)(=O)c2sccc2Br)ccn1
InChIInChI=1S/C12H14BrN3O2S2/c1-16(2)11-7-9(3-5-14-11)8-15-20(17,18)12-10(13)4-6-19-12/h3-7,15H,8H2,1-2H3
InChIKeyWNYMDLVDBFMRLP-UHFFFAOYSA-N
MW376.30 g/mol
LogP2.45
Rot. Bonds5

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

3-bromo-N-[[2-(dimethylamino)-4-pyridinyl]methyl]thiophene-2-sulfonamide (PubChem CID 87032497) has the molecular formula C12H14BrN3O2S2 and a molecular weight of 376.30 g/mol. Its IUPAC name is 3-bromo-N-[[2-(dimethylamino)-4-pyridinyl]methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name3-bromo-N-[[2-(dimethylamino)-4-pyridinyl]methyl]thiophene-2-sulfonamide
PubChem CID87032497
Molecular FormulaC12H14BrN3O2S2
Molecular Weight376.30 g/mol
Exact Mass374.97
IUPAC Name3-bromo-N-[[2-(dimethylamino)-4-pyridinyl]methyl]thiophene-2-sulfonamide
SMILESCN(C)c1cc(CNS(=O)(=O)c2sccc2Br)ccn1
InChIInChI=1S/C12H14BrN3O2S2/c1-16(2)11-7-9(3-5-14-11)8-15-20(17,18)12-10(13)4-6-19-12/h3-7,15H,8H2,1-2H3
InChIKeyWNYMDLVDBFMRLP-UHFFFAOYSA-N
XLogP2.45
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.30
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-N-[[2-(dimethylamino)-4-pyridinyl]methyl]benzenesulfonamide
CID 55642050
3-bromo-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide
CID 61073398
4-N-[[2-(dimethylamino)-4-pyridinyl]methyl]benzene-1,4-disulfonamide
CID 55642208
3-bromo-N-[(3-methylphenyl)methyl]thiophene-2-sulfonamide
CID 61072677
3-bromo-N-(furan-3-ylmethyl)thiophene-2-sulfonamide
CID 115588809
3-bromo-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide
CID 61073396
3-bromo-N-[(3-chloro-4-fluorophenyl)methyl]thiophene-2-sulfonamide
CID 55086258
N-[[2-(dimethylamino)-4-pyridinyl]methyl]-5-fluoro-2-methylbenzenesulfonamide
CID 39657352
3-bromo-N-ethylthiophene-2-sulfonamide
CID 61072476
3-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-2-sulfonamide
CID 106406982
2-chloro-N-[[2-(dimethylamino)-4-pyridinyl]methyl]-6-nitrobenzenesulfonamide
CID 47955033
N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-(trifluoromethoxy)benzenesulfonamide
CID 55642240

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[[2-(dimethylamino)-4-pyridinyl]methyl]thiophene-2-sulfonamide?
The IUPAC name of 3-bromo-N-[[2-(dimethylamino)-4-pyridinyl]methyl]thiophene-2-sulfonamide (CID 87032497) is 3-bromo-N-[[2-(dimethylamino)-4-pyridinyl]methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 3-bromo-N-[[2-(dimethylamino)-4-pyridinyl]methyl]thiophene-2-sulfonamide?
The canonical SMILES for 3-bromo-N-[[2-(dimethylamino)-4-pyridinyl]methyl]thiophene-2-sulfonamide is CN(C)c1cc(CNS(=O)(=O)c2sccc2Br)ccn1.
What is the InChIKey of 3-bromo-N-[[2-(dimethylamino)-4-pyridinyl]methyl]thiophene-2-sulfonamide?
The InChIKey is WNYMDLVDBFMRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O2S2/c1-16(2)11-7-9(3-5-14-11)8-15-20(17,18)12-10(13)4-6-19-12/h3-7,15H,8H2,1-2H3.
What are the key properties of 3-bromo-N-[[2-(dimethylamino)-4-pyridinyl]methyl]thiophene-2-sulfonamide?
3-bromo-N-[[2-(dimethylamino)-4-pyridinyl]methyl]thiophene-2-sulfonamide has a molecular weight of 376.30 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[[2-(dimethylamino)-4-pyridinyl]methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 87032497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).