3-bromo-N-(pyridin-4-ylmethyl)-1-benzothiophene-2-sulfonamide

C14H11BrN2O2S2 — CID 155962541

IUPAC3-bromo-N-(pyridin-4-ylmethyl)-1-benzothiophene-2-sulfonamide
SMILESO=S(=O)(NCc1ccncc1)c1sc2ccccc2c1Br
InChIInChI=1S/C14H11BrN2O2S2/c15-13-11-3-1-2-4-12(11)20-14(13)21(18,19)17-9-10-5-7-16-8-6-10/h1-8,17H,9H2
InChIKeySAVDCIFOFSMOFT-UHFFFAOYSA-N
MW383.29 g/mol
LogP3.54
Rot. Bonds4

About 3-bromo-N-(pyridin-4-ylmethyl)-1-benzothiophene-2-sulfonamide

3-bromo-N-(pyridin-4-ylmethyl)-1-benzothiophene-2-sulfonamide (PubChem CID 155962541) has the molecular formula C14H11BrN2O2S2 and a molecular weight of 383.29 g/mol. Its IUPAC name is 3-bromo-N-(pyridin-4-ylmethyl)-1-benzothiophene-2-sulfonamide.

Molecular Properties

Compound Name3-bromo-N-(pyridin-4-ylmethyl)-1-benzothiophene-2-sulfonamide
PubChem CID155962541
Molecular FormulaC14H11BrN2O2S2
Molecular Weight383.29 g/mol
Exact Mass381.94
IUPAC Name3-bromo-N-(pyridin-4-ylmethyl)-1-benzothiophene-2-sulfonamide
SMILESO=S(=O)(NCc1ccncc1)c1sc2ccccc2c1Br
InChIInChI=1S/C14H11BrN2O2S2/c15-13-11-3-1-2-4-12(11)20-14(13)21(18,19)17-9-10-5-7-16-8-6-10/h1-8,17H,9H2
InChIKeySAVDCIFOFSMOFT-UHFFFAOYSA-N
XLogP3.54
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.29
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide
CID 61073398
N-(3-bromo-1-benzothiophen-2-yl)-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 66906844
2-amino-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 28590099
tert-butyl N-[[4-[3-[2-[(3-bromo-1-benzothiophen-2-yl)sulfonylamino]ethyl-methylamino]propyl]phenyl]methyl]carbamate
CID 59988277
N-benzyl-4-oxothiochromene-2-sulfonamide
CID 139188320
1-phenyl-N-(pyridin-4-ylmethyl)methanesulfonamide
CID 669282
5-bromo-N-(pyridin-4-ylmethyl)pyridine-2-sulfonamide
CID 119094857
2,3-dichloro-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 2127166
3-amino-4-bromo-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 115328707
2-bromo-4-fluoro-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 60823464
5-(pyridin-4-ylmethylsulfamoyl)thiophene-2-carboxylic acid
CID 54907517
N-benzyl-5-bromothiophene-2-sulfonamide
CID 848221

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(pyridin-4-ylmethyl)-1-benzothiophene-2-sulfonamide?
The IUPAC name of 3-bromo-N-(pyridin-4-ylmethyl)-1-benzothiophene-2-sulfonamide (CID 155962541) is 3-bromo-N-(pyridin-4-ylmethyl)-1-benzothiophene-2-sulfonamide.
What is the SMILES notation for 3-bromo-N-(pyridin-4-ylmethyl)-1-benzothiophene-2-sulfonamide?
The canonical SMILES for 3-bromo-N-(pyridin-4-ylmethyl)-1-benzothiophene-2-sulfonamide is O=S(=O)(NCc1ccncc1)c1sc2ccccc2c1Br.
What is the InChIKey of 3-bromo-N-(pyridin-4-ylmethyl)-1-benzothiophene-2-sulfonamide?
The InChIKey is SAVDCIFOFSMOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O2S2/c15-13-11-3-1-2-4-12(11)20-14(13)21(18,19)17-9-10-5-7-16-8-6-10/h1-8,17H,9H2.
What are the key properties of 3-bromo-N-(pyridin-4-ylmethyl)-1-benzothiophene-2-sulfonamide?
3-bromo-N-(pyridin-4-ylmethyl)-1-benzothiophene-2-sulfonamide has a molecular weight of 383.29 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(pyridin-4-ylmethyl)-1-benzothiophene-2-sulfonamide is sourced from PubChem (CID 155962541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).