3-chloro-4-[(4-methylphenyl)sulfonylamino]-N-(4-phenylbutan-2-yl)benzamide

C24H25ClN2O3S — CID 43916618

IUPAC3-chloro-4-[(4-methylphenyl)sulfonylamino]-N-(4-phenylbutan-2-yl)benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC(C)CCc3ccccc3)cc2Cl)cc1
InChIInChI=1S/C24H25ClN2O3S/c1-17-8-13-21(14-9-17)31(29,30)27-23-15-12-20(16-22(23)25)24(28)26-18(2)10-11-19-6-4-3-5-7-19/h3-9,12-16,18,27H,10-11H2,1-2H3,(H,26,28)
InChIKeyGYTNUBHBHMKGTJ-UHFFFAOYSA-N
MW457.00 g/mol
LogP5.20
Rot. Bonds8

About 3-chloro-4-[(4-methylphenyl)sulfonylamino]-N-(4-phenylbutan-2-yl)benzamide

3-chloro-4-[(4-methylphenyl)sulfonylamino]-N-(4-phenylbutan-2-yl)benzamide (PubChem CID 43916618) has the molecular formula C24H25ClN2O3S and a molecular weight of 457.00 g/mol. Its IUPAC name is 3-chloro-4-[(4-methylphenyl)sulfonylamino]-N-(4-phenylbutan-2-yl)benzamide.

Molecular Properties

Compound Name3-chloro-4-[(4-methylphenyl)sulfonylamino]-N-(4-phenylbutan-2-yl)benzamide
PubChem CID43916618
Molecular FormulaC24H25ClN2O3S
Molecular Weight457.00 g/mol
Exact Mass456.13
IUPAC Name3-chloro-4-[(4-methylphenyl)sulfonylamino]-N-(4-phenylbutan-2-yl)benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC(C)CCc3ccccc3)cc2Cl)cc1
InChIInChI=1S/C24H25ClN2O3S/c1-17-8-13-21(14-9-17)31(29,30)27-23-15-12-20(16-22(23)25)24(28)26-18(2)10-11-19-6-4-3-5-7-19/h3-9,12-16,18,27H,10-11H2,1-2H3,(H,26,28)
InChIKeyGYTNUBHBHMKGTJ-UHFFFAOYSA-N
XLogP5.20
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.00
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-[(4-methylphenyl)sulfonylamino]-N-pentan-2-ylbenzamide
CID 43877132
4-(benzenesulfonamido)-3-chloro-N-[(2S)-pentan-2-yl]benzamide
CID 93487479
3-chloro-N-(3-methylbutyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 28632726
3-chloro-N-[(1R)-1-(4-methylphenyl)propyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 93486433
3-chloro-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 92671799
3-chloro-4-[(4-methylphenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)benzamide
CID 30377748
4-(benzenesulfonamido)-3-chloro-N-(3-methylbutyl)benzamide
CID 99953455
4-(benzenesulfonamido)-3-chloro-N-(2,4-dimethylphenyl)benzamide
CID 46770830
3-chloro-4-[(4-methylphenyl)sulfonylamino]-N-[4-(phenylsulfanylmethyl)phenyl]benzamide
CID 28567614
4-(benzenesulfonamido)-2-chloro-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 93486708
4-[methyl-(4-methylphenyl)sulfonylamino]-N-(4-phenylbutan-2-yl)benzamide
CID 24538311
3-chloro-N-(2-ethyl-6-methylphenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 46762958

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(4-methylphenyl)sulfonylamino]-N-(4-phenylbutan-2-yl)benzamide?
The IUPAC name of 3-chloro-4-[(4-methylphenyl)sulfonylamino]-N-(4-phenylbutan-2-yl)benzamide (CID 43916618) is 3-chloro-4-[(4-methylphenyl)sulfonylamino]-N-(4-phenylbutan-2-yl)benzamide.
What is the SMILES notation for 3-chloro-4-[(4-methylphenyl)sulfonylamino]-N-(4-phenylbutan-2-yl)benzamide?
The canonical SMILES for 3-chloro-4-[(4-methylphenyl)sulfonylamino]-N-(4-phenylbutan-2-yl)benzamide is Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC(C)CCc3ccccc3)cc2Cl)cc1.
What is the InChIKey of 3-chloro-4-[(4-methylphenyl)sulfonylamino]-N-(4-phenylbutan-2-yl)benzamide?
The InChIKey is GYTNUBHBHMKGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O3S/c1-17-8-13-21(14-9-17)31(29,30)27-23-15-12-20(16-22(23)25)24(28)26-18(2)10-11-19-6-4-3-5-7-19/h3-9,12-16,18,27H,10-11H2,1-2H3,(H,26,28).
What are the key properties of 3-chloro-4-[(4-methylphenyl)sulfonylamino]-N-(4-phenylbutan-2-yl)benzamide?
3-chloro-4-[(4-methylphenyl)sulfonylamino]-N-(4-phenylbutan-2-yl)benzamide has a molecular weight of 457.00 g/mol, XLogP of 5.20, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(4-methylphenyl)sulfonylamino]-N-(4-phenylbutan-2-yl)benzamide is sourced from PubChem (CID 43916618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).