7-[(4-butylphenyl)sulfonyl-pyridin-2-ylamino]-N-hydroxyheptanamide

C22H31N3O4S — CID 141300682

IUPAC7-[(4-butylphenyl)sulfonyl-pyridin-2-ylamino]-N-hydroxyheptanamide
SMILESCCCCc1ccc(S(=O)(=O)N(CCCCCCC(=O)NO)c2ccccn2)cc1
InChIInChI=1S/C22H31N3O4S/c1-2-3-10-19-13-15-20(16-14-19)30(28,29)25(21-11-7-8-17-23-21)18-9-5-4-6-12-22(26)24-27/h7-8,11,13-17,27H,2-6,9-10,12,18H2,1H3,(H,24,26)
InChIKeyXTLNQDRHXNTKJI-UHFFFAOYSA-N
MW433.57 g/mol
LogP4.08
Rot. Bonds13

About 7-[(4-butylphenyl)sulfonyl-pyridin-2-ylamino]-N-hydroxyheptanamide

7-[(4-butylphenyl)sulfonyl-pyridin-2-ylamino]-N-hydroxyheptanamide (PubChem CID 141300682) has the molecular formula C22H31N3O4S and a molecular weight of 433.57 g/mol. Its IUPAC name is 7-[(4-butylphenyl)sulfonyl-pyridin-2-ylamino]-N-hydroxyheptanamide.

Molecular Properties

Compound Name7-[(4-butylphenyl)sulfonyl-pyridin-2-ylamino]-N-hydroxyheptanamide
PubChem CID141300682
Molecular FormulaC22H31N3O4S
Molecular Weight433.57 g/mol
Exact Mass433.20
IUPAC Name7-[(4-butylphenyl)sulfonyl-pyridin-2-ylamino]-N-hydroxyheptanamide
SMILESCCCCc1ccc(S(=O)(=O)N(CCCCCCC(=O)NO)c2ccccn2)cc1
InChIInChI=1S/C22H31N3O4S/c1-2-3-10-19-13-15-20(16-14-19)30(28,29)25(21-11-7-8-17-23-21)18-9-5-4-6-12-22(26)24-27/h7-8,11,13-17,27H,2-6,9-10,12,18H2,1H3,(H,24,26)
InChIKeyXTLNQDRHXNTKJI-UHFFFAOYSA-N
XLogP4.08
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.57
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-7-[(4-propan-2-ylphenyl)sulfonyl-pyridin-2-ylamino]heptanamide
CID 141300681
2-[(4-butylphenyl)sulfonyl-pentylamino]-N-hydroxyacetamide
CID 142683333
N-hydroxy-3-[pentyl-(4-propylphenyl)sulfonylamino]propanamide
CID 142683345
[N-[7-(hydroxyamino)-7-oxoheptyl]-N-pyridin-2-ylcarbamimidoyl] methanimidothioate
CID 134474549
2-[benzenesulfonyl(pyridin-2-yl)amino]-N-phenylacetamide
CID 1475365
3-[(4-chlorophenyl)sulfonyl-pentylamino]-N-hydroxypropanamide
CID 142683275
3-[ethyl-(4-hexylphenyl)sulfonylamino]propanoic acid
CID 84557829
4-[4-[2-[butyl(pyridin-2-yl)amino]ethoxy]phenyl]butanoic acid
CID 25109388
N-hydroxy-6-phenylhexanamide;thiohydroxylamine
CID 142086803
N,4-dibutyl-N-methylbenzenesulfonamide
CID 3736049
4-[3-(hexanoylamino)propyl]benzenesulfonyl chloride
CID 60906285
N-[2-[4-(dimethylsulfamoyl)phenyl]ethyl]-5-phenylpentanamide
CID 142727630

Frequently Asked Questions

What is the IUPAC name of 7-[(4-butylphenyl)sulfonyl-pyridin-2-ylamino]-N-hydroxyheptanamide?
The IUPAC name of 7-[(4-butylphenyl)sulfonyl-pyridin-2-ylamino]-N-hydroxyheptanamide (CID 141300682) is 7-[(4-butylphenyl)sulfonyl-pyridin-2-ylamino]-N-hydroxyheptanamide.
What is the SMILES notation for 7-[(4-butylphenyl)sulfonyl-pyridin-2-ylamino]-N-hydroxyheptanamide?
The canonical SMILES for 7-[(4-butylphenyl)sulfonyl-pyridin-2-ylamino]-N-hydroxyheptanamide is CCCCc1ccc(S(=O)(=O)N(CCCCCCC(=O)NO)c2ccccn2)cc1.
What is the InChIKey of 7-[(4-butylphenyl)sulfonyl-pyridin-2-ylamino]-N-hydroxyheptanamide?
The InChIKey is XTLNQDRHXNTKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O4S/c1-2-3-10-19-13-15-20(16-14-19)30(28,29)25(21-11-7-8-17-23-21)18-9-5-4-6-12-22(26)24-27/h7-8,11,13-17,27H,2-6,9-10,12,18H2,1H3,(H,24,26).
What are the key properties of 7-[(4-butylphenyl)sulfonyl-pyridin-2-ylamino]-N-hydroxyheptanamide?
7-[(4-butylphenyl)sulfonyl-pyridin-2-ylamino]-N-hydroxyheptanamide has a molecular weight of 433.57 g/mol, XLogP of 4.08, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-butylphenyl)sulfonyl-pyridin-2-ylamino]-N-hydroxyheptanamide is sourced from PubChem (CID 141300682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).