4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(5-chloro-3-pyridinyl)benzamide

C23H24ClN3O3S — CID 50913581

IUPAC4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(5-chloro-3-pyridinyl)benzamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)NCc2ccc(C(=O)Nc3cncc(Cl)c3)cc2)cc1
InChIInChI=1S/C23H24ClN3O3S/c1-23(2,3)18-8-10-21(11-9-18)31(29,30)26-13-16-4-6-17(7-5-16)22(28)27-20-12-19(24)14-25-15-20/h4-12,14-15,26H,13H2,1-3H3,(H,27,28)
InChIKeyCQUJKLYZGYMJAI-UHFFFAOYSA-N
MW457.98 g/mol
LogP4.76
Rot. Bonds6

About 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(5-chloro-3-pyridinyl)benzamide

4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(5-chloro-3-pyridinyl)benzamide (PubChem CID 50913581) has the molecular formula C23H24ClN3O3S and a molecular weight of 457.98 g/mol. Its IUPAC name is 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(5-chloro-3-pyridinyl)benzamide.

Molecular Properties

Compound Name4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(5-chloro-3-pyridinyl)benzamide
PubChem CID50913581
Molecular FormulaC23H24ClN3O3S
Molecular Weight457.98 g/mol
Exact Mass457.12
IUPAC Name4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(5-chloro-3-pyridinyl)benzamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)NCc2ccc(C(=O)Nc3cncc(Cl)c3)cc2)cc1
InChIInChI=1S/C23H24ClN3O3S/c1-23(2,3)18-8-10-21(11-9-18)31(29,30)26-13-16-4-6-17(7-5-16)22(28)27-20-12-19(24)14-25-15-20/h4-12,14-15,26H,13H2,1-3H3,(H,27,28)
InChIKeyCQUJKLYZGYMJAI-UHFFFAOYSA-N
XLogP4.76
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.98
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-methoxybenzamide
CID 17439202
4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(1-methylpyrazol-3-yl)benzamide
CID 55498792
4-[4-(benzylsulfamoyl)phenyl]-N-(3-chlorophenyl)benzamide
CID 46385848
4-[[[4-(4-hydroxyphenyl)phenyl]sulfonylamino]methyl]-N-pyridin-3-ylbenzamide
CID 70661029
1-N,4-N-bis[4-(benzylsulfamoyl)phenyl]benzene-1,4-dicarboxamide
CID 4929117
2-methyl-4-[[4-(pyridin-3-ylcarbamoyl)phenyl]methylsulfamoyl]benzoic acid
CID 118158424
4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide
CID 55843166
4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 1179288
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(4-bromophenyl)benzamide
CID 29371083
4-amino-N-[(4-tert-butylphenyl)methyl]benzenesulfonamide
CID 9150177
N-(3-methoxyphenyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide
CID 109060995
4-tert-butyl-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 3595428

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(5-chloro-3-pyridinyl)benzamide?
The IUPAC name of 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(5-chloro-3-pyridinyl)benzamide (CID 50913581) is 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(5-chloro-3-pyridinyl)benzamide.
What is the SMILES notation for 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(5-chloro-3-pyridinyl)benzamide?
The canonical SMILES for 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(5-chloro-3-pyridinyl)benzamide is CC(C)(C)c1ccc(S(=O)(=O)NCc2ccc(C(=O)Nc3cncc(Cl)c3)cc2)cc1.
What is the InChIKey of 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(5-chloro-3-pyridinyl)benzamide?
The InChIKey is CQUJKLYZGYMJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O3S/c1-23(2,3)18-8-10-21(11-9-18)31(29,30)26-13-16-4-6-17(7-5-16)22(28)27-20-12-19(24)14-25-15-20/h4-12,14-15,26H,13H2,1-3H3,(H,27,28).
What are the key properties of 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(5-chloro-3-pyridinyl)benzamide?
4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(5-chloro-3-pyridinyl)benzamide has a molecular weight of 457.98 g/mol, XLogP of 4.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(5-chloro-3-pyridinyl)benzamide is sourced from PubChem (CID 50913581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).