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3-chloro-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-4-[(4-methylphenyl)sulfonylamino]benzamide

C24H25ClN2O3S — CID 92671799

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC3-chloro-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@H](C)c3ccc(C)cc3C)cc2Cl)cc1
InChIInChI=1S/C24H25ClN2O3S/c1-15-5-9-20(10-6-15)31(29,30)27-23-12-8-19(14-22(23)25)24(28)26-18(4)21-11-7-16(2)13-17(21)3/h5-14,18,27H,1-4H3,(H,26,28)/t18-/m1/s1
InChIKeyUAYKFIAFBCSOAK-GOSISDBHSA-N
MW457.00 g/mol
LogP5.56
Rot. Bonds6

About 3-chloro-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-4-[(4-methylphenyl)sulfonylamino]benzamide

3-chloro-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-4-[(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 92671799) has the molecular formula C24H25ClN2O3S and a molecular weight of 457.00 g/mol. Its IUPAC name is 3-chloro-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-4-[(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound Name3-chloro-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
PubChem CID92671799
Molecular FormulaC24H25ClN2O3S
Molecular Weight457.00 g/mol
Exact Mass456.13
IUPAC Name3-chloro-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@H](C)c3ccc(C)cc3C)cc2Cl)cc1
InChIInChI=1S/C24H25ClN2O3S/c1-15-5-9-20(10-6-15)31(29,30)27-23-12-8-19(14-22(23)25)24(28)26-18(4)21-11-7-16(2)13-17(21)3/h5-14,18,27H,1-4H3,(H,26,28)/t18-/m1/s1
InChIKeyUAYKFIAFBCSOAK-GOSISDBHSA-N
XLogP5.56
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.00
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-4-[(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of 3-chloro-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-4-[(4-methylphenyl)sulfonylamino]benzamide (CID 92671799) is 3-chloro-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-4-[(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for 3-chloro-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-4-[(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for 3-chloro-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-4-[(4-methylphenyl)sulfonylamino]benzamide is Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@H](C)c3ccc(C)cc3C)cc2Cl)cc1.
What is the InChIKey of 3-chloro-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-4-[(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is UAYKFIAFBCSOAK-GOSISDBHSA-N. The full InChI is InChI=1S/C24H25ClN2O3S/c1-15-5-9-20(10-6-15)31(29,30)27-23-12-8-19(14-22(23)25)24(28)26-18(4)21-11-7-16(2)13-17(21)3/h5-14,18,27H,1-4H3,(H,26,28)/t18-/m1/s1.
What are the key properties of 3-chloro-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-4-[(4-methylphenyl)sulfonylamino]benzamide?
3-chloro-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-4-[(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 457.00 g/mol, XLogP of 5.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-4-[(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 92671799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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