4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide

C25H25ClN2O3S — CID 43886405

IUPAC4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
SMILESCS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)NC2CCCc3ccccc32)cc1
InChIInChI=1S/C25H25ClN2O3S/c1-32(30,31)28(17-20-8-3-5-11-23(20)26)21-15-13-19(14-16-21)25(29)27-24-12-6-9-18-7-2-4-10-22(18)24/h2-5,7-8,10-11,13-16,24H,6,9,12,17H2,1H3,(H,27,29)
InChIKeyQWRHNFZAXXNDBY-UHFFFAOYSA-N
MW469.01 g/mol
LogP5.11
Rot. Bonds6

About 4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide

4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide (PubChem CID 43886405) has the molecular formula C25H25ClN2O3S and a molecular weight of 469.01 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
PubChem CID43886405
Molecular FormulaC25H25ClN2O3S
Molecular Weight469.01 g/mol
Exact Mass468.13
IUPAC Name4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
SMILESCS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)NC2CCCc3ccccc32)cc1
InChIInChI=1S/C25H25ClN2O3S/c1-32(30,31)28(17-20-8-3-5-11-23(20)26)21-15-13-19(14-16-21)25(29)27-24-12-6-9-18-7-2-4-10-22(18)24/h2-5,7-8,10-11,13-16,24H,6,9,12,17H2,1H3,(H,27,29)
InChIKeyQWRHNFZAXXNDBY-UHFFFAOYSA-N
XLogP5.11
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.01
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-methylphenyl)methyl-methylsulfonylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 92680447
4-[methylsulfonyl(prop-2-enyl)amino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 30398560
4-[(3-chloro-N-methylsulfonylanilino)methyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 99130942
4-(dimethylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 4681400
4-[(2,5-dimethyl-N-methylsulfonylanilino)methyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 99132566
2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 30131498
2-chloro-4-[methyl(methylsulfonyl)amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 133145463
2-chloro-4-[methyl(methylsulfonyl)amino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 125042681
2-(4-iodo-N-methylsulfonylanilino)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 30230341
4-propan-2-ylsulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 51955051
4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(2,4-dimethylpentan-3-yl)benzamide
CID 1311662
4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[(2R)-3-methylbutan-2-yl]benzamide
CID 100564011

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide?
The IUPAC name of 4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide (CID 43886405) is 4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide.
What is the SMILES notation for 4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide?
The canonical SMILES for 4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide is CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)NC2CCCc3ccccc32)cc1.
What is the InChIKey of 4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide?
The InChIKey is QWRHNFZAXXNDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN2O3S/c1-32(30,31)28(17-20-8-3-5-11-23(20)26)21-15-13-19(14-16-21)25(29)27-24-12-6-9-18-7-2-4-10-22(18)24/h2-5,7-8,10-11,13-16,24H,6,9,12,17H2,1H3,(H,27,29).
What are the key properties of 4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide?
4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide has a molecular weight of 469.01 g/mol, XLogP of 5.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide is sourced from PubChem (CID 43886405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).