6-amino-5-chloro-N-(1-thiophen-2-ylbutyl)pyridine-3-sulfonamide

C13H16ClN3O2S2 — CID 64600123

IUPAC6-amino-5-chloro-N-(1-thiophen-2-ylbutyl)pyridine-3-sulfonamide
SMILESCCCC(NS(=O)(=O)c1cnc(N)c(Cl)c1)c1cccs1
InChIInChI=1S/C13H16ClN3O2S2/c1-2-4-11(12-5-3-6-20-12)17-21(18,19)9-7-10(14)13(15)16-8-9/h3,5-8,11,17H,2,4H2,1H3,(H2,15,16)
InChIKeyVRWMRAVLULYGOA-UHFFFAOYSA-N
MW345.88 g/mol
LogP3.20
Rot. Bonds6

About 6-amino-5-chloro-N-(1-thiophen-2-ylbutyl)pyridine-3-sulfonamide

6-amino-5-chloro-N-(1-thiophen-2-ylbutyl)pyridine-3-sulfonamide (PubChem CID 64600123) has the molecular formula C13H16ClN3O2S2 and a molecular weight of 345.88 g/mol. Its IUPAC name is 6-amino-5-chloro-N-(1-thiophen-2-ylbutyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-amino-5-chloro-N-(1-thiophen-2-ylbutyl)pyridine-3-sulfonamide
PubChem CID64600123
Molecular FormulaC13H16ClN3O2S2
Molecular Weight345.88 g/mol
Exact Mass345.04
IUPAC Name6-amino-5-chloro-N-(1-thiophen-2-ylbutyl)pyridine-3-sulfonamide
SMILESCCCC(NS(=O)(=O)c1cnc(N)c(Cl)c1)c1cccs1
InChIInChI=1S/C13H16ClN3O2S2/c1-2-4-11(12-5-3-6-20-12)17-21(18,19)9-7-10(14)13(15)16-8-9/h3,5-8,11,17H,2,4H2,1H3,(H2,15,16)
InChIKeyVRWMRAVLULYGOA-UHFFFAOYSA-N
XLogP3.20
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.88
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-amino-5-chloro-N-(1-thiophen-3-ylpropan-2-yl)pyridine-3-sulfonamide
CID 64602655
2,5-dibromo-N-(1-thiophen-2-ylbutyl)benzenesulfonamide
CID 63420561
6-amino-5-chloro-N-(2-methylbutyl)pyridine-3-sulfonamide
CID 64601703
6-amino-5-chloro-N-(1-cyclopropylethyl)pyridine-3-sulfonamide
CID 64609097
6-amino-N-[1-(4-bromophenyl)ethyl]-5-chloropyridine-3-sulfonamide
CID 64601294
1-(2-aminophenyl)-N-(1-thiophen-2-ylbutyl)methanesulfonamide
CID 62022649
4-chloro-N-(5-methyl-1-thiophen-2-ylhexyl)benzenesulfonamide
CID 10248669
6-amino-5-chloro-N',N'-dimethylpyridine-3-sulfonohydrazide
CID 83023337
6-amino-5-chloro-N-(4-ethylphenyl)pyridine-3-sulfonamide
CID 64608503
4-amino-3-fluoro-N-(1-thiophen-2-ylpropyl)benzenesulfonamide
CID 82844715
5,6-dichloro-N-(1-thiophen-2-ylbutyl)pyridine-3-carboxamide
CID 61381170
5,6-dichloro-N-hexan-3-ylpyridine-3-sulfonamide
CID 64607651

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-chloro-N-(1-thiophen-2-ylbutyl)pyridine-3-sulfonamide?
The IUPAC name of 6-amino-5-chloro-N-(1-thiophen-2-ylbutyl)pyridine-3-sulfonamide (CID 64600123) is 6-amino-5-chloro-N-(1-thiophen-2-ylbutyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-amino-5-chloro-N-(1-thiophen-2-ylbutyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-amino-5-chloro-N-(1-thiophen-2-ylbutyl)pyridine-3-sulfonamide is CCCC(NS(=O)(=O)c1cnc(N)c(Cl)c1)c1cccs1.
What is the InChIKey of 6-amino-5-chloro-N-(1-thiophen-2-ylbutyl)pyridine-3-sulfonamide?
The InChIKey is VRWMRAVLULYGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2S2/c1-2-4-11(12-5-3-6-20-12)17-21(18,19)9-7-10(14)13(15)16-8-9/h3,5-8,11,17H,2,4H2,1H3,(H2,15,16).
What are the key properties of 6-amino-5-chloro-N-(1-thiophen-2-ylbutyl)pyridine-3-sulfonamide?
6-amino-5-chloro-N-(1-thiophen-2-ylbutyl)pyridine-3-sulfonamide has a molecular weight of 345.88 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-chloro-N-(1-thiophen-2-ylbutyl)pyridine-3-sulfonamide is sourced from PubChem (CID 64600123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).