2-bromo-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide

C16H13BrN2O2S2 — CID 91625864

IUPAC2-bromo-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1cccnc1-c1cccs1)c1ccccc1Br
InChIInChI=1S/C16H13BrN2O2S2/c17-13-6-1-2-8-15(13)23(20,21)19-11-12-5-3-9-18-16(12)14-7-4-10-22-14/h1-10,19H,11H2
InChIKeyRYGYMYKAFXPPPG-UHFFFAOYSA-N
MW409.33 g/mol
LogP4.05
Rot. Bonds5

About 2-bromo-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide

2-bromo-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide (PubChem CID 91625864) has the molecular formula C16H13BrN2O2S2 and a molecular weight of 409.33 g/mol. Its IUPAC name is 2-bromo-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide
PubChem CID91625864
Molecular FormulaC16H13BrN2O2S2
Molecular Weight409.33 g/mol
Exact Mass407.96
IUPAC Name2-bromo-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1cccnc1-c1cccs1)c1ccccc1Br
InChIInChI=1S/C16H13BrN2O2S2/c17-13-6-1-2-8-15(13)23(20,21)19-11-12-5-3-9-18-16(12)14-7-4-10-22-14/h1-10,19H,11H2
InChIKeyRYGYMYKAFXPPPG-UHFFFAOYSA-N
XLogP4.05
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.33
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-thiophen-2-yl-3-pyridinyl)methyl]ethanesulfonamide
CID 121166355
2,4,6-trimethyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide
CID 121166387
N-[(2-thiophen-2-yl-3-pyridinyl)methyl]cyclopropanesulfonamide
CID 121166356
5-fluoro-2-methoxy-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide
CID 121166393
(E)-2-phenyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]ethenesulfonamide
CID 121166367
2-bromo-N-[(2-bromophenyl)methyl]benzenesulfonamide
CID 25146907
3,3,3-trifluoro-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propane-1-sulfonamide
CID 91625886
N-[(2-thiophen-2-yl-3-pyridinyl)methyl]cyclohexanesulfonamide
CID 121166361
3-phenoxy-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propane-1-sulfonamide
CID 91625872
1-methyl-2-propan-2-yl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]imidazole-4-sulfonamide
CID 91625884
N-[(2-bromophenyl)methyl]-2-hydrazinylpyridine-3-sulfonamide
CID 61413878
2-bromo-N-[[2-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 3855876

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide?
The IUPAC name of 2-bromo-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide (CID 91625864) is 2-bromo-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide?
The canonical SMILES for 2-bromo-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide is O=S(=O)(NCc1cccnc1-c1cccs1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide?
The InChIKey is RYGYMYKAFXPPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O2S2/c17-13-6-1-2-8-15(13)23(20,21)19-11-12-5-3-9-18-16(12)14-7-4-10-22-14/h1-10,19H,11H2.
What are the key properties of 2-bromo-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide?
2-bromo-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide has a molecular weight of 409.33 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide is sourced from PubChem (CID 91625864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).