N-[3-[(4-tert-butylphenyl)sulfonylamino]propyl]-2,4-dichloro-N-phenylbenzamide

C26H28Cl2N2O3S — CID 42706779

IUPACN-[3-[(4-tert-butylphenyl)sulfonylamino]propyl]-2,4-dichloro-N-phenylbenzamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)NCCCN(C(=O)c2ccc(Cl)cc2Cl)c2ccccc2)cc1
InChIInChI=1S/C26H28Cl2N2O3S/c1-26(2,3)19-10-13-22(14-11-19)34(32,33)29-16-7-17-30(21-8-5-4-6-9-21)25(31)23-15-12-20(27)18-24(23)28/h4-6,8-15,18,29H,7,16-17H2,1-3H3
InChIKeyXWURVKWSMWAJDJ-UHFFFAOYSA-N
MW519.49 g/mol
LogP6.31
Rot. Bonds8

About N-[3-[(4-tert-butylphenyl)sulfonylamino]propyl]-2,4-dichloro-N-phenylbenzamide

N-[3-[(4-tert-butylphenyl)sulfonylamino]propyl]-2,4-dichloro-N-phenylbenzamide (PubChem CID 42706779) has the molecular formula C26H28Cl2N2O3S and a molecular weight of 519.49 g/mol. Its IUPAC name is N-[3-[(4-tert-butylphenyl)sulfonylamino]propyl]-2,4-dichloro-N-phenylbenzamide.

Molecular Properties

Compound NameN-[3-[(4-tert-butylphenyl)sulfonylamino]propyl]-2,4-dichloro-N-phenylbenzamide
PubChem CID42706779
Molecular FormulaC26H28Cl2N2O3S
Molecular Weight519.49 g/mol
Exact Mass518.12
IUPAC NameN-[3-[(4-tert-butylphenyl)sulfonylamino]propyl]-2,4-dichloro-N-phenylbenzamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)NCCCN(C(=O)c2ccc(Cl)cc2Cl)c2ccccc2)cc1
InChIInChI=1S/C26H28Cl2N2O3S/c1-26(2,3)19-10-13-22(14-11-19)34(32,33)29-16-7-17-30(21-8-5-4-6-9-21)25(31)23-15-12-20(27)18-24(23)28/h4-6,8-15,18,29H,7,16-17H2,1-3H3
InChIKeyXWURVKWSMWAJDJ-UHFFFAOYSA-N
XLogP6.31
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.49
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[(4-tert-butylphenyl)sulfonylamino]propyl]-4-fluoro-N-(4-fluorophenyl)benzamide
CID 42726216
2,4-dichloro-N-[3-(cyclobutanecarbonylamino)propyl]-N-phenylbenzamide
CID 42706776
2,4-dichloro-N-[3-(N-(4-methoxybenzoyl)anilino)propyl]benzamide
CID 42706752
3-(3,4-dichlorophenyl)-1-[3-[(4-fluorophenyl)sulfonylamino]propyl]-1-phenylurea
CID 42705928
2,4-dichloro-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]benzamide
CID 33340835
2,4-dichloro-N-[3-(N-methylanilino)propyl]benzamide
CID 27746785
N-[2-(N-benzoylanilino)ethyl]-2,4-dichlorobenzamide
CID 42704589
N-[4-[(4-tert-butylphenyl)sulfonylamino]butyl]acetamide
CID 110358631
N-tert-butyl-2,4-dichloro-N-phenylbenzamide
CID 91801665
N-[(4-tert-butylphenyl)methyl]-2,4-dichloro-N-pyridin-2-ylbenzamide
CID 139583068
3-[(4-tert-butylphenyl)sulfonylamino]-N-(5-chloro-2-methylphenyl)propanamide
CID 9403064
N-(4-fluorophenyl)-N-[3-[(4-methoxyphenyl)sulfonylamino]propyl]benzamide
CID 42726365

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-tert-butylphenyl)sulfonylamino]propyl]-2,4-dichloro-N-phenylbenzamide?
The IUPAC name of N-[3-[(4-tert-butylphenyl)sulfonylamino]propyl]-2,4-dichloro-N-phenylbenzamide (CID 42706779) is N-[3-[(4-tert-butylphenyl)sulfonylamino]propyl]-2,4-dichloro-N-phenylbenzamide.
What is the SMILES notation for N-[3-[(4-tert-butylphenyl)sulfonylamino]propyl]-2,4-dichloro-N-phenylbenzamide?
The canonical SMILES for N-[3-[(4-tert-butylphenyl)sulfonylamino]propyl]-2,4-dichloro-N-phenylbenzamide is CC(C)(C)c1ccc(S(=O)(=O)NCCCN(C(=O)c2ccc(Cl)cc2Cl)c2ccccc2)cc1.
What is the InChIKey of N-[3-[(4-tert-butylphenyl)sulfonylamino]propyl]-2,4-dichloro-N-phenylbenzamide?
The InChIKey is XWURVKWSMWAJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28Cl2N2O3S/c1-26(2,3)19-10-13-22(14-11-19)34(32,33)29-16-7-17-30(21-8-5-4-6-9-21)25(31)23-15-12-20(27)18-24(23)28/h4-6,8-15,18,29H,7,16-17H2,1-3H3.
What are the key properties of N-[3-[(4-tert-butylphenyl)sulfonylamino]propyl]-2,4-dichloro-N-phenylbenzamide?
N-[3-[(4-tert-butylphenyl)sulfonylamino]propyl]-2,4-dichloro-N-phenylbenzamide has a molecular weight of 519.49 g/mol, XLogP of 6.31, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-tert-butylphenyl)sulfonylamino]propyl]-2,4-dichloro-N-phenylbenzamide is sourced from PubChem (CID 42706779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).