N-[1-(5-sulfamoylthiophen-2-yl)ethyl]pyridine-3-sulfonamide

C11H13N3O4S3 — CID 43134153

IUPACN-[1-(5-sulfamoylthiophen-2-yl)ethyl]pyridine-3-sulfonamide
SMILESCC(NS(=O)(=O)c1cccnc1)c1ccc(S(N)(=O)=O)s1
InChIInChI=1S/C11H13N3O4S3/c1-8(10-4-5-11(19-10)20(12,15)16)14-21(17,18)9-3-2-6-13-7-9/h2-8,14H,1H3,(H2,12,15,16)
InChIKeyJMHWFNJVUSTYJG-UHFFFAOYSA-N
MW347.44 g/mol
LogP0.83
Rot. Bonds5

About N-[1-(5-sulfamoylthiophen-2-yl)ethyl]pyridine-3-sulfonamide

N-[1-(5-sulfamoylthiophen-2-yl)ethyl]pyridine-3-sulfonamide (PubChem CID 43134153) has the molecular formula C11H13N3O4S3 and a molecular weight of 347.44 g/mol. Its IUPAC name is N-[1-(5-sulfamoylthiophen-2-yl)ethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[1-(5-sulfamoylthiophen-2-yl)ethyl]pyridine-3-sulfonamide
PubChem CID43134153
Molecular FormulaC11H13N3O4S3
Molecular Weight347.44 g/mol
Exact Mass347.01
IUPAC NameN-[1-(5-sulfamoylthiophen-2-yl)ethyl]pyridine-3-sulfonamide
SMILESCC(NS(=O)(=O)c1cccnc1)c1ccc(S(N)(=O)=O)s1
InChIInChI=1S/C11H13N3O4S3/c1-8(10-4-5-11(19-10)20(12,15)16)14-21(17,18)9-3-2-6-13-7-9/h2-8,14H,1H3,(H2,12,15,16)
InChIKeyJMHWFNJVUSTYJG-UHFFFAOYSA-N
XLogP0.83
TPSA119.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[1-(ethylsulfonylamino)ethyl]thiophene-2-sulfonamide
CID 43134149
5-[1-(propan-2-ylsulfonylamino)ethyl]thiophene-2-sulfonamide
CID 60862958
1-methyl-N-[1-(5-sulfamoylthiophen-2-yl)ethyl]imidazole-4-sulfonamide
CID 62373470
5-[1-(3,3-dimethylbutylsulfonylamino)ethyl]thiophene-2-sulfonamide
CID 103521332
2-(pyridin-3-ylsulfonylamino)propanoic acid
CID 24691769
N-(1-chloropropan-2-yl)pyridine-3-sulfonamide
CID 65030805
N-[(1R)-1-(4-pyrimidin-5-ylphenyl)ethyl]pyridine-3-sulfonamide
CID 95970916
5-[1-(cyclopentylsulfonylamino)ethyl]thiophene-2-sulfonamide
CID 105361263
N-(1-amino-4-methylpentan-2-yl)pyridine-3-sulfonamide
CID 63767546
N-(1-hydroxy-3-methylbutan-2-yl)pyridine-3-sulfonamide
CID 79256160
N-(4-hydroxybutan-2-yl)pyridine-3-sulfonamide
CID 115477930
[4-[(2S)-2-(pyridin-3-ylsulfonylamino)propanoyl]oxyphenyl] (2S)-2-(pyridin-3-ylsulfonylamino)propanoate
CID 142590055

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-sulfamoylthiophen-2-yl)ethyl]pyridine-3-sulfonamide?
The IUPAC name of N-[1-(5-sulfamoylthiophen-2-yl)ethyl]pyridine-3-sulfonamide (CID 43134153) is N-[1-(5-sulfamoylthiophen-2-yl)ethyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[1-(5-sulfamoylthiophen-2-yl)ethyl]pyridine-3-sulfonamide?
The canonical SMILES for N-[1-(5-sulfamoylthiophen-2-yl)ethyl]pyridine-3-sulfonamide is CC(NS(=O)(=O)c1cccnc1)c1ccc(S(N)(=O)=O)s1.
What is the InChIKey of N-[1-(5-sulfamoylthiophen-2-yl)ethyl]pyridine-3-sulfonamide?
The InChIKey is JMHWFNJVUSTYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4S3/c1-8(10-4-5-11(19-10)20(12,15)16)14-21(17,18)9-3-2-6-13-7-9/h2-8,14H,1H3,(H2,12,15,16).
What are the key properties of N-[1-(5-sulfamoylthiophen-2-yl)ethyl]pyridine-3-sulfonamide?
N-[1-(5-sulfamoylthiophen-2-yl)ethyl]pyridine-3-sulfonamide has a molecular weight of 347.44 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-sulfamoylthiophen-2-yl)ethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 43134153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).