5-chloro-N-(4-pyridin-3-ylbutyl)thiophene-2-sulfonamide

C13H15ClN2O2S2 — CID 110661337

IUPAC5-chloro-N-(4-pyridin-3-ylbutyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NCCCCc1cccnc1)c1ccc(Cl)s1
InChIInChI=1S/C13H15ClN2O2S2/c14-12-6-7-13(19-12)20(17,18)16-9-2-1-4-11-5-3-8-15-10-11/h3,5-8,10,16H,1-2,4,9H2
InChIKeyBOBIVXBMMBFTCD-UHFFFAOYSA-N
MW330.86 g/mol
LogP3.10
Rot. Bonds7

About 5-chloro-N-(4-pyridin-3-ylbutyl)thiophene-2-sulfonamide

5-chloro-N-(4-pyridin-3-ylbutyl)thiophene-2-sulfonamide (PubChem CID 110661337) has the molecular formula C13H15ClN2O2S2 and a molecular weight of 330.86 g/mol. Its IUPAC name is 5-chloro-N-(4-pyridin-3-ylbutyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(4-pyridin-3-ylbutyl)thiophene-2-sulfonamide
PubChem CID110661337
Molecular FormulaC13H15ClN2O2S2
Molecular Weight330.86 g/mol
Exact Mass330.03
IUPAC Name5-chloro-N-(4-pyridin-3-ylbutyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NCCCCc1cccnc1)c1ccc(Cl)s1
InChIInChI=1S/C13H15ClN2O2S2/c14-12-6-7-13(19-12)20(17,18)16-9-2-1-4-11-5-3-8-15-10-11/h3,5-8,10,16H,1-2,4,9H2
InChIKeyBOBIVXBMMBFTCD-UHFFFAOYSA-N
XLogP3.10
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-(3-pyridin-3-ylpropyl)pyridine-3-sulfonamide
CID 110408505
5-chloro-N-heptylthiophene-2-sulfonamide
CID 19681281
5-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]thiophene-2-sulfonamide
CID 43605840
3-[4-(dimethylsulfamoylamino)butyl]pyridine
CID 110661318
N-(4-pyridin-3-ylbutyl)propane-1-sulfonamide
CID 110661317
3-chloro-4-methoxy-N-(4-pyridin-3-ylbutyl)benzenesulfonamide
CID 110661338
5-chloro-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]thiophene-2-sulfonamide
CID 121077958
5-chloro-4-nitro-N-(2-pyridin-3-ylethyl)thiophene-2-sulfonamide
CID 112729910
5-chloro-N-hex-5-ynylthiophene-2-sulfonamide
CID 103756996
5-chloro-N-(3-pyrrol-1-ylpropyl)thiophene-2-sulfonamide
CID 110721121
4-propan-2-yl-N-(3-pyridin-3-ylpropyl)benzenesulfonamide
CID 110400290
1-(4-fluorophenyl)-N-(4-pyridin-3-ylbutyl)methanesulfonamide
CID 110661344

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-pyridin-3-ylbutyl)thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-(4-pyridin-3-ylbutyl)thiophene-2-sulfonamide (CID 110661337) is 5-chloro-N-(4-pyridin-3-ylbutyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-(4-pyridin-3-ylbutyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-(4-pyridin-3-ylbutyl)thiophene-2-sulfonamide is O=S(=O)(NCCCCc1cccnc1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-(4-pyridin-3-ylbutyl)thiophene-2-sulfonamide?
The InChIKey is BOBIVXBMMBFTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2S2/c14-12-6-7-13(19-12)20(17,18)16-9-2-1-4-11-5-3-8-15-10-11/h3,5-8,10,16H,1-2,4,9H2.
What are the key properties of 5-chloro-N-(4-pyridin-3-ylbutyl)thiophene-2-sulfonamide?
5-chloro-N-(4-pyridin-3-ylbutyl)thiophene-2-sulfonamide has a molecular weight of 330.86 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-pyridin-3-ylbutyl)thiophene-2-sulfonamide is sourced from PubChem (CID 110661337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).