6-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenoxy]-N-pentylpyridine-3-carboxamide

C21H22ClN3O4S2 — CID 53120059

IUPAC6-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenoxy]-N-pentylpyridine-3-carboxamide
SMILESCCCCCNC(=O)c1ccc(Oc2ccc(NS(=O)(=O)c3ccc(Cl)s3)cc2)nc1
InChIInChI=1S/C21H22ClN3O4S2/c1-2-3-4-13-23-21(26)15-5-11-19(24-14-15)29-17-8-6-16(7-9-17)25-31(27,28)20-12-10-18(22)30-20/h5-12,14,25H,2-4,13H2,1H3,(H,23,26)
InChIKeyJSVDHLAEIYFHQY-UHFFFAOYSA-N
MW480.01 g/mol
LogP5.31
Rot. Bonds10

About 6-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenoxy]-N-pentylpyridine-3-carboxamide

6-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenoxy]-N-pentylpyridine-3-carboxamide (PubChem CID 53120059) has the molecular formula C21H22ClN3O4S2 and a molecular weight of 480.01 g/mol. Its IUPAC name is 6-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenoxy]-N-pentylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenoxy]-N-pentylpyridine-3-carboxamide
PubChem CID53120059
Molecular FormulaC21H22ClN3O4S2
Molecular Weight480.01 g/mol
Exact Mass479.07
IUPAC Name6-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenoxy]-N-pentylpyridine-3-carboxamide
SMILESCCCCCNC(=O)c1ccc(Oc2ccc(NS(=O)(=O)c3ccc(Cl)s3)cc2)nc1
InChIInChI=1S/C21H22ClN3O4S2/c1-2-3-4-13-23-21(26)15-5-11-19(24-14-15)29-17-8-6-16(7-9-17)25-31(27,28)20-12-10-18(22)30-20/h5-12,14,25H,2-4,13H2,1H3,(H,23,26)
InChIKeyJSVDHLAEIYFHQY-UHFFFAOYSA-N
XLogP5.31
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.01
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[[5-[(5-chlorothiophen-2-yl)sulfonylamino]-2-pyridinyl]oxy]-N-ethylbenzamide
CID 46389231
6-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenoxy]-N-cyclopropylpyridine-3-carboxamide
CID 53120065
6-[4-[(2-acetamido-5-methylphenyl)sulfonylamino]phenoxy]-N-butylpyridine-3-carboxamide
CID 53120146
2-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenoxy]-N-propylpyridine-3-carboxamide
CID 53120306
6-[4-[(2,5-dimethylphenyl)sulfonylamino]phenoxy]-N-ethylpyridine-3-carboxamide
CID 53120026
N-ethyl-6-[4-[(4-propan-2-ylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide
CID 53120103
6-[4-[(3,4-dimethylphenyl)sulfonylamino]phenoxy]-N-(3-methylbutyl)pyridine-3-carboxamide
CID 53120091
6-[4-[[4-(propanoylamino)phenyl]sulfonylamino]phenoxy]-N-propan-2-ylpyridine-3-carboxamide
CID 53120121
4-[(5-chlorothiophen-2-yl)sulfonylamino]-N-[(2-methyltriazol-4-yl)methyl]benzamide
CID 154836612
4-[(3,4-dichlorophenyl)sulfonylamino]-N-pentylbenzamide
CID 18279871
N-[[4-(butylcarbamoyl)phenyl]methyl]-6-phenoxypyridine-3-carboxamide
CID 78901073
N-hydroxy-6-(4-pentylphenoxy)pyridine-3-carboxamide
CID 142415304

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenoxy]-N-pentylpyridine-3-carboxamide?
The IUPAC name of 6-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenoxy]-N-pentylpyridine-3-carboxamide (CID 53120059) is 6-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenoxy]-N-pentylpyridine-3-carboxamide.
What is the SMILES notation for 6-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenoxy]-N-pentylpyridine-3-carboxamide?
The canonical SMILES for 6-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenoxy]-N-pentylpyridine-3-carboxamide is CCCCCNC(=O)c1ccc(Oc2ccc(NS(=O)(=O)c3ccc(Cl)s3)cc2)nc1.
What is the InChIKey of 6-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenoxy]-N-pentylpyridine-3-carboxamide?
The InChIKey is JSVDHLAEIYFHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O4S2/c1-2-3-4-13-23-21(26)15-5-11-19(24-14-15)29-17-8-6-16(7-9-17)25-31(27,28)20-12-10-18(22)30-20/h5-12,14,25H,2-4,13H2,1H3,(H,23,26).
What are the key properties of 6-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenoxy]-N-pentylpyridine-3-carboxamide?
6-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenoxy]-N-pentylpyridine-3-carboxamide has a molecular weight of 480.01 g/mol, XLogP of 5.31, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenoxy]-N-pentylpyridine-3-carboxamide is sourced from PubChem (CID 53120059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).