4-bromo-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide

C16H13BrN2O2S2 — CID 121166054

IUPAC4-bromo-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccnc(-c2ccsc2)c1)c1ccc(Br)cc1
InChIInChI=1S/C16H13BrN2O2S2/c17-14-1-3-15(4-2-14)23(20,21)19-10-12-5-7-18-16(9-12)13-6-8-22-11-13/h1-9,11,19H,10H2
InChIKeyIETAPJOSRVBTLR-UHFFFAOYSA-N
MW409.33 g/mol
LogP4.05
Rot. Bonds5

About 4-bromo-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide

4-bromo-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide (PubChem CID 121166054) has the molecular formula C16H13BrN2O2S2 and a molecular weight of 409.33 g/mol. Its IUPAC name is 4-bromo-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide
PubChem CID121166054
Molecular FormulaC16H13BrN2O2S2
Molecular Weight409.33 g/mol
Exact Mass407.96
IUPAC Name4-bromo-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccnc(-c2ccsc2)c1)c1ccc(Br)cc1
InChIInChI=1S/C16H13BrN2O2S2/c17-14-1-3-15(4-2-14)23(20,21)19-10-12-5-7-18-16(9-12)13-6-8-22-11-13/h1-9,11,19H,10H2
InChIKeyIETAPJOSRVBTLR-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

4-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzene-1,4-disulfonamide
CID 121166056
N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 121165981
4-bromo-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 121165646
4-(2,5-dioxopyrrolidin-1-yl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 91625724
3-methyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 91625699
1-methyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]pyrazole-4-sulfonamide
CID 91625719
4-(2-chlorophenoxy)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 121166043
2,6-difluoro-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 121166004
N-[(2-thiophen-3-yl-4-pyridinyl)methyl]cyclopropanesulfonamide
CID 121165977
2,5-difluoro-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 121166003
N-[(2-thiophen-3-yl-4-pyridinyl)methyl]-2-(trifluoromethyl)benzenesulfonamide
CID 91625714
5-chloro-2-methoxy-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 91625706

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide (CID 121166054) is 4-bromo-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide is O=S(=O)(NCc1ccnc(-c2ccsc2)c1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide?
The InChIKey is IETAPJOSRVBTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O2S2/c17-14-1-3-15(4-2-14)23(20,21)19-10-12-5-7-18-16(9-12)13-6-8-22-11-13/h1-9,11,19H,10H2.
What are the key properties of 4-bromo-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide?
4-bromo-N-[(2-thiophen-3-yl-4-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 4-bromo-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide is sourced from PubChem (CID 121166054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).