4-[[(4-chlorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]methyl]-N-naphthalen-2-ylbenzamide

C30H24ClN3O3S — CID 58128885

IUPAC4-[[(4-chlorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]methyl]-N-naphthalen-2-ylbenzamide
SMILESO=C(Nc1ccc2ccccc2c1)c1ccc(CN(Cc2ccccn2)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C30H24ClN3O3S/c31-26-13-16-29(17-14-26)38(36,37)34(21-28-7-3-4-18-32-28)20-22-8-10-24(11-9-22)30(35)33-27-15-12-23-5-1-2-6-25(23)19-27/h1-19H,20-21H2,(H,33,35)
InChIKeyLVZNZJNMTCOWOB-UHFFFAOYSA-N
MW542.06 g/mol
LogP6.53
Rot. Bonds8

About 4-[[(4-chlorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]methyl]-N-naphthalen-2-ylbenzamide

4-[[(4-chlorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]methyl]-N-naphthalen-2-ylbenzamide (PubChem CID 58128885) has the molecular formula C30H24ClN3O3S and a molecular weight of 542.06 g/mol. Its IUPAC name is 4-[[(4-chlorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]methyl]-N-naphthalen-2-ylbenzamide.

Molecular Properties

Compound Name4-[[(4-chlorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]methyl]-N-naphthalen-2-ylbenzamide
PubChem CID58128885
Molecular FormulaC30H24ClN3O3S
Molecular Weight542.06 g/mol
Exact Mass541.12
IUPAC Name4-[[(4-chlorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]methyl]-N-naphthalen-2-ylbenzamide
SMILESO=C(Nc1ccc2ccccc2c1)c1ccc(CN(Cc2ccccn2)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C30H24ClN3O3S/c31-26-13-16-29(17-14-26)38(36,37)34(21-28-7-3-4-18-32-28)20-22-8-10-24(11-9-22)30(35)33-27-15-12-23-5-1-2-6-25(23)19-27/h1-19H,20-21H2,(H,33,35)
InChIKeyLVZNZJNMTCOWOB-UHFFFAOYSA-N
XLogP6.53
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.06
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(4-chlorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]methyl]-N-quinolin-6-ylbenzamide
CID 58129149
methyl 4-[[(4-chlorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]methyl]benzoate
CID 58128955
N-[1-(4-chlorophenyl)cyclopropyl]-4-[[(4-chlorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]methyl]benzamide
CID 58128904
4-[[(4-chlorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]methyl]-N-cyclopropylsulfonylbenzamide
CID 58129059
2-[[4-[[(4-chlorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]methyl]benzoyl]amino]-2-pyridin-4-ylacetic acid
CID 58129131
4-[[(4-chlorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]methyl]-N-[1-(4-methylphenyl)cyclopropyl]benzamide
CID 143874486
4-chloro-N-[[4-[2-(3-methylsulfonylpropylsulfonyl)acetyl]phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 58129016
4-[[(4-chlorophenyl)sulfonyl-(1,8-naphthyridin-2-ylmethyl)amino]methyl]-N-(1-phenylcyclopropyl)benzamide
CID 58128897
N-hydroxy-2-[naphthalen-2-ylsulfonyl(pyridin-2-ylmethyl)amino]acetamide
CID 91027075
2-(3-chlorophenyl)-N-[4-[[[4-(methyliminomethyl)phenyl]sulfonyl-(pyridin-2-ylmethyl)amino]methyl]phenyl]acetamide
CID 159017401
4-chloro-N-[[4-[2-oxo-2-(1-phenylcyclopropyl)ethyl]phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 58129209
4-[[4-[(1-phenylcyclopropyl)carbamoyl]phenyl]methyl-(pyridin-2-ylmethyl)sulfamoyl]benzoic acid
CID 58128855

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-chlorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]methyl]-N-naphthalen-2-ylbenzamide?
The IUPAC name of 4-[[(4-chlorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]methyl]-N-naphthalen-2-ylbenzamide (CID 58128885) is 4-[[(4-chlorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]methyl]-N-naphthalen-2-ylbenzamide.
What is the SMILES notation for 4-[[(4-chlorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]methyl]-N-naphthalen-2-ylbenzamide?
The canonical SMILES for 4-[[(4-chlorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]methyl]-N-naphthalen-2-ylbenzamide is O=C(Nc1ccc2ccccc2c1)c1ccc(CN(Cc2ccccn2)S(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[[(4-chlorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]methyl]-N-naphthalen-2-ylbenzamide?
The InChIKey is LVZNZJNMTCOWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24ClN3O3S/c31-26-13-16-29(17-14-26)38(36,37)34(21-28-7-3-4-18-32-28)20-22-8-10-24(11-9-22)30(35)33-27-15-12-23-5-1-2-6-25(23)19-27/h1-19H,20-21H2,(H,33,35).
What are the key properties of 4-[[(4-chlorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]methyl]-N-naphthalen-2-ylbenzamide?
4-[[(4-chlorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]methyl]-N-naphthalen-2-ylbenzamide has a molecular weight of 542.06 g/mol, XLogP of 6.53, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-chlorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]methyl]-N-naphthalen-2-ylbenzamide is sourced from PubChem (CID 58128885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).