N-hydroxy-4-[(4-phenylphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-7-(trifluoromethyl)quinoline-3-carboxamide

C29H21F3N4O4S — CID 10120930

IUPACN-hydroxy-4-[(4-phenylphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-7-(trifluoromethyl)quinoline-3-carboxamide
SMILESO=C(NO)c1cnc2cc(C(F)(F)F)ccc2c1N(Cc1cccnc1)S(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C29H21F3N4O4S/c30-29(31,32)22-10-13-24-26(15-22)34-17-25(28(37)35-38)27(24)36(18-19-5-4-14-33-16-19)41(39,40)23-11-8-21(9-12-23)20-6-2-1-3-7-20/h1-17,38H,18H2,(H,35,37)
InChIKeyDCZIFTAWIUHEEC-UHFFFAOYSA-N
MW578.57 g/mol
LogP5.83
Rot. Bonds7

About N-hydroxy-4-[(4-phenylphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-7-(trifluoromethyl)quinoline-3-carboxamide

N-hydroxy-4-[(4-phenylphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-7-(trifluoromethyl)quinoline-3-carboxamide (PubChem CID 10120930) has the molecular formula C29H21F3N4O4S and a molecular weight of 578.57 g/mol. Its IUPAC name is N-hydroxy-4-[(4-phenylphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-7-(trifluoromethyl)quinoline-3-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4-[(4-phenylphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-7-(trifluoromethyl)quinoline-3-carboxamide
PubChem CID10120930
Molecular FormulaC29H21F3N4O4S
Molecular Weight578.57 g/mol
Exact Mass578.12
IUPAC NameN-hydroxy-4-[(4-phenylphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-7-(trifluoromethyl)quinoline-3-carboxamide
SMILESO=C(NO)c1cnc2cc(C(F)(F)F)ccc2c1N(Cc1cccnc1)S(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C29H21F3N4O4S/c30-29(31,32)22-10-13-24-26(15-22)34-17-25(28(37)35-38)27(24)36(18-19-5-4-14-33-16-19)41(39,40)23-11-8-21(9-12-23)20-6-2-1-3-7-20/h1-17,38H,18H2,(H,35,37)
InChIKeyDCZIFTAWIUHEEC-UHFFFAOYSA-N
XLogP5.83
TPSA112.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.57
LogP ≤ 55.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[(4-phenylphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-7-(trifluoromethyl)quinoline-3-carboxamide?
The IUPAC name of N-hydroxy-4-[(4-phenylphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-7-(trifluoromethyl)quinoline-3-carboxamide (CID 10120930) is N-hydroxy-4-[(4-phenylphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-7-(trifluoromethyl)quinoline-3-carboxamide.
What is the SMILES notation for N-hydroxy-4-[(4-phenylphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-7-(trifluoromethyl)quinoline-3-carboxamide?
The canonical SMILES for N-hydroxy-4-[(4-phenylphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-7-(trifluoromethyl)quinoline-3-carboxamide is O=C(NO)c1cnc2cc(C(F)(F)F)ccc2c1N(Cc1cccnc1)S(=O)(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-hydroxy-4-[(4-phenylphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-7-(trifluoromethyl)quinoline-3-carboxamide?
The InChIKey is DCZIFTAWIUHEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21F3N4O4S/c30-29(31,32)22-10-13-24-26(15-22)34-17-25(28(37)35-38)27(24)36(18-19-5-4-14-33-16-19)41(39,40)23-11-8-21(9-12-23)20-6-2-1-3-7-20/h1-17,38H,18H2,(H,35,37).
What are the key properties of N-hydroxy-4-[(4-phenylphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-7-(trifluoromethyl)quinoline-3-carboxamide?
N-hydroxy-4-[(4-phenylphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-7-(trifluoromethyl)quinoline-3-carboxamide has a molecular weight of 578.57 g/mol, XLogP of 5.83, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[(4-phenylphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-7-(trifluoromethyl)quinoline-3-carboxamide is sourced from PubChem (CID 10120930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).