2-chloro-N-cyclohexyl-5-[[3-(propylsulfonylamino)benzoyl]amino]benzamide

C23H28ClN3O4S — CID 55978369

IUPAC2-chloro-N-cyclohexyl-5-[[3-(propylsulfonylamino)benzoyl]amino]benzamide
SMILESCCCS(=O)(=O)Nc1cccc(C(=O)Nc2ccc(Cl)c(C(=O)NC3CCCCC3)c2)c1
InChIInChI=1S/C23H28ClN3O4S/c1-2-13-32(30,31)27-19-10-6-7-16(14-19)22(28)26-18-11-12-21(24)20(15-18)23(29)25-17-8-4-3-5-9-17/h6-7,10-12,14-15,17,27H,2-5,8-9,13H2,1H3,(H,25,29)(H,26,28)
InChIKeyDQDJHNNFQUZIGD-UHFFFAOYSA-N
MW478.01 g/mol
LogP4.81
Rot. Bonds8

About 2-chloro-N-cyclohexyl-5-[[3-(propylsulfonylamino)benzoyl]amino]benzamide

2-chloro-N-cyclohexyl-5-[[3-(propylsulfonylamino)benzoyl]amino]benzamide (PubChem CID 55978369) has the molecular formula C23H28ClN3O4S and a molecular weight of 478.01 g/mol. Its IUPAC name is 2-chloro-N-cyclohexyl-5-[[3-(propylsulfonylamino)benzoyl]amino]benzamide.

Molecular Properties

Compound Name2-chloro-N-cyclohexyl-5-[[3-(propylsulfonylamino)benzoyl]amino]benzamide
PubChem CID55978369
Molecular FormulaC23H28ClN3O4S
Molecular Weight478.01 g/mol
Exact Mass477.15
IUPAC Name2-chloro-N-cyclohexyl-5-[[3-(propylsulfonylamino)benzoyl]amino]benzamide
SMILESCCCS(=O)(=O)Nc1cccc(C(=O)Nc2ccc(Cl)c(C(=O)NC3CCCCC3)c2)c1
InChIInChI=1S/C23H28ClN3O4S/c1-2-13-32(30,31)27-19-10-6-7-16(14-19)22(28)26-18-11-12-21(24)20(15-18)23(29)25-17-8-4-3-5-9-17/h6-7,10-12,14-15,17,27H,2-5,8-9,13H2,1H3,(H,25,29)(H,26,28)
InChIKeyDQDJHNNFQUZIGD-UHFFFAOYSA-N
XLogP4.81
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.01
LogP ≤ 54.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-cyclohexyl-5-[(3-propoxybenzoyl)amino]benzamide
CID 17188531
5-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-2-chloro-N-cyclohexylbenzamide
CID 54833038
2-chloro-N-cyclohexyl-5-[[2-oxo-2-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]amino]benzamide
CID 54833308
N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide
CID 17188463
3-[(3-chlorobenzoyl)amino]-N-cyclohexylbenzamide
CID 17170567
2-chloro-N-cyclopentyl-5-(propanoylamino)benzamide
CID 50875940
N-(3-cyclopentyloxy-4-methoxyphenyl)-3-(propylsulfonylamino)benzamide
CID 31873206
N-(3-chloro-4-methylphenyl)-3-(ethylsulfonylamino)benzamide
CID 36805136
2-chloro-N-cyclohexyl-5-[[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54832945
2-chloro-N-cyclohexyl-5-(phenylcarbamoylamino)benzamide
CID 17188425
2-chloro-N-cyclohexyl-5-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]benzamide
CID 54833099
2-chloro-N-cyclohexyl-5-[[2-[3-(propanoylamino)anilino]acetyl]amino]benzamide
CID 54833292

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclohexyl-5-[[3-(propylsulfonylamino)benzoyl]amino]benzamide?
The IUPAC name of 2-chloro-N-cyclohexyl-5-[[3-(propylsulfonylamino)benzoyl]amino]benzamide (CID 55978369) is 2-chloro-N-cyclohexyl-5-[[3-(propylsulfonylamino)benzoyl]amino]benzamide.
What is the SMILES notation for 2-chloro-N-cyclohexyl-5-[[3-(propylsulfonylamino)benzoyl]amino]benzamide?
The canonical SMILES for 2-chloro-N-cyclohexyl-5-[[3-(propylsulfonylamino)benzoyl]amino]benzamide is CCCS(=O)(=O)Nc1cccc(C(=O)Nc2ccc(Cl)c(C(=O)NC3CCCCC3)c2)c1.
What is the InChIKey of 2-chloro-N-cyclohexyl-5-[[3-(propylsulfonylamino)benzoyl]amino]benzamide?
The InChIKey is DQDJHNNFQUZIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O4S/c1-2-13-32(30,31)27-19-10-6-7-16(14-19)22(28)26-18-11-12-21(24)20(15-18)23(29)25-17-8-4-3-5-9-17/h6-7,10-12,14-15,17,27H,2-5,8-9,13H2,1H3,(H,25,29)(H,26,28).
What are the key properties of 2-chloro-N-cyclohexyl-5-[[3-(propylsulfonylamino)benzoyl]amino]benzamide?
2-chloro-N-cyclohexyl-5-[[3-(propylsulfonylamino)benzoyl]amino]benzamide has a molecular weight of 478.01 g/mol, XLogP of 4.81, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclohexyl-5-[[3-(propylsulfonylamino)benzoyl]amino]benzamide is sourced from PubChem (CID 55978369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).