N-cyclopropyl-4-[4-[(2,6-dichlorophenyl)sulfonyl-(2-methylpropyl)amino]phenyl]benzamide

C26H26Cl2N2O3S — CID 177371412

IUPACN-cyclopropyl-4-[4-[(2,6-dichlorophenyl)sulfonyl-(2-methylpropyl)amino]phenyl]benzamide
SMILESCC(C)CN(c1ccc(-c2ccc(C(=O)NC3CC3)cc2)cc1)S(=O)(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C26H26Cl2N2O3S/c1-17(2)16-30(34(32,33)25-23(27)4-3-5-24(25)28)22-14-10-19(11-15-22)18-6-8-20(9-7-18)26(31)29-21-12-13-21/h3-11,14-15,17,21H,12-13,16H2,1-2H3,(H,29,31)
InChIKeyVKJOOBMEETWMLN-UHFFFAOYSA-N
MW517.48 g/mol
LogP6.40
Rot. Bonds8

About N-cyclopropyl-4-[4-[(2,6-dichlorophenyl)sulfonyl-(2-methylpropyl)amino]phenyl]benzamide

N-cyclopropyl-4-[4-[(2,6-dichlorophenyl)sulfonyl-(2-methylpropyl)amino]phenyl]benzamide (PubChem CID 177371412) has the molecular formula C26H26Cl2N2O3S and a molecular weight of 517.48 g/mol. Its IUPAC name is N-cyclopropyl-4-[4-[(2,6-dichlorophenyl)sulfonyl-(2-methylpropyl)amino]phenyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[4-[(2,6-dichlorophenyl)sulfonyl-(2-methylpropyl)amino]phenyl]benzamide
PubChem CID177371412
Molecular FormulaC26H26Cl2N2O3S
Molecular Weight517.48 g/mol
Exact Mass516.10
IUPAC NameN-cyclopropyl-4-[4-[(2,6-dichlorophenyl)sulfonyl-(2-methylpropyl)amino]phenyl]benzamide
SMILESCC(C)CN(c1ccc(-c2ccc(C(=O)NC3CC3)cc2)cc1)S(=O)(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C26H26Cl2N2O3S/c1-17(2)16-30(34(32,33)25-23(27)4-3-5-24(25)28)22-14-10-19(11-15-22)18-6-8-20(9-7-18)26(31)29-21-12-13-21/h3-11,14-15,17,21H,12-13,16H2,1-2H3,(H,29,31)
InChIKeyVKJOOBMEETWMLN-UHFFFAOYSA-N
XLogP6.40
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.48
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(1-methylpiperidin-4-yl)benzamide
CID 56700074
4-propan-2-yl-N-[4-[(4-propan-2-ylbenzoyl)amino]cyclohexyl]benzamide
CID 1001424
N-cyclopropyl-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 989117
N-(4-methylcyclohexyl)-4-propan-2-ylsulfonylbenzamide
CID 46485032
4-(3-chloro-2-pyridinyl)-N-cyclopropylbenzamide
CID 59673165
N-cyclohexyl-4-[methylsulfonyl(prop-2-enyl)amino]benzamide
CID 961960
4-[(3-chloro-2-methylphenyl)sulfamoyl]-N-cyclopropylbenzamide
CID 109058337
2-[(4-fluorophenyl)-(2-methylpropyl)sulfamoyl]-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 90221242
N-cyclopropyl-4-(5-methylhexan-2-ylamino)benzamide
CID 43687524
2-methylpropyl 4-[(4-phenylbenzoyl)amino]piperidine-1-carboxylate
CID 108559390
4-[ethyl(ethylsulfonyl)amino]-N-(1-methylpiperidin-4-yl)benzamide
CID 50945980
3-N-cyclopropyl-1-N-(2,6-dichlorophenyl)benzene-1,3-dicarboxamide
CID 109050846

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[4-[(2,6-dichlorophenyl)sulfonyl-(2-methylpropyl)amino]phenyl]benzamide?
The IUPAC name of N-cyclopropyl-4-[4-[(2,6-dichlorophenyl)sulfonyl-(2-methylpropyl)amino]phenyl]benzamide (CID 177371412) is N-cyclopropyl-4-[4-[(2,6-dichlorophenyl)sulfonyl-(2-methylpropyl)amino]phenyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[4-[(2,6-dichlorophenyl)sulfonyl-(2-methylpropyl)amino]phenyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[4-[(2,6-dichlorophenyl)sulfonyl-(2-methylpropyl)amino]phenyl]benzamide is CC(C)CN(c1ccc(-c2ccc(C(=O)NC3CC3)cc2)cc1)S(=O)(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of N-cyclopropyl-4-[4-[(2,6-dichlorophenyl)sulfonyl-(2-methylpropyl)amino]phenyl]benzamide?
The InChIKey is VKJOOBMEETWMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26Cl2N2O3S/c1-17(2)16-30(34(32,33)25-23(27)4-3-5-24(25)28)22-14-10-19(11-15-22)18-6-8-20(9-7-18)26(31)29-21-12-13-21/h3-11,14-15,17,21H,12-13,16H2,1-2H3,(H,29,31).
What are the key properties of N-cyclopropyl-4-[4-[(2,6-dichlorophenyl)sulfonyl-(2-methylpropyl)amino]phenyl]benzamide?
N-cyclopropyl-4-[4-[(2,6-dichlorophenyl)sulfonyl-(2-methylpropyl)amino]phenyl]benzamide has a molecular weight of 517.48 g/mol, XLogP of 6.40, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[4-[(2,6-dichlorophenyl)sulfonyl-(2-methylpropyl)amino]phenyl]benzamide is sourced from PubChem (CID 177371412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).