N-cyclohexyl-4-(quinolin-8-ylsulfonylamino)benzamide

C22H23N3O3S — CID 1287296

IUPACN-cyclohexyl-4-(quinolin-8-ylsulfonylamino)benzamide
SMILESO=C(NC1CCCCC1)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1
InChIInChI=1S/C22H23N3O3S/c26-22(24-18-8-2-1-3-9-18)17-11-13-19(14-12-17)25-29(27,28)20-10-4-6-16-7-5-15-23-21(16)20/h4-7,10-15,18,25H,1-3,8-9H2,(H,24,26)
InChIKeyIOZQOYJUDNAQCI-UHFFFAOYSA-N
MW409.51 g/mol
LogP4.10
Rot. Bonds5

About N-cyclohexyl-4-(quinolin-8-ylsulfonylamino)benzamide

N-cyclohexyl-4-(quinolin-8-ylsulfonylamino)benzamide (PubChem CID 1287296) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is N-cyclohexyl-4-(quinolin-8-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(quinolin-8-ylsulfonylamino)benzamide
PubChem CID1287296
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC NameN-cyclohexyl-4-(quinolin-8-ylsulfonylamino)benzamide
SMILESO=C(NC1CCCCC1)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1
InChIInChI=1S/C22H23N3O3S/c26-22(24-18-8-2-1-3-9-18)17-11-13-19(14-12-17)25-29(27,28)20-10-4-6-16-7-5-15-23-21(16)20/h4-7,10-15,18,25H,1-3,8-9H2,(H,24,26)
InChIKeyIOZQOYJUDNAQCI-UHFFFAOYSA-N
XLogP4.10
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(quinolin-8-ylsulfonylamino)benzamide?
The IUPAC name of N-cyclohexyl-4-(quinolin-8-ylsulfonylamino)benzamide (CID 1287296) is N-cyclohexyl-4-(quinolin-8-ylsulfonylamino)benzamide.
What is the SMILES notation for N-cyclohexyl-4-(quinolin-8-ylsulfonylamino)benzamide?
The canonical SMILES for N-cyclohexyl-4-(quinolin-8-ylsulfonylamino)benzamide is O=C(NC1CCCCC1)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1.
What is the InChIKey of N-cyclohexyl-4-(quinolin-8-ylsulfonylamino)benzamide?
The InChIKey is IOZQOYJUDNAQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c26-22(24-18-8-2-1-3-9-18)17-11-13-19(14-12-17)25-29(27,28)20-10-4-6-16-7-5-15-23-21(16)20/h4-7,10-15,18,25H,1-3,8-9H2,(H,24,26).
What are the key properties of N-cyclohexyl-4-(quinolin-8-ylsulfonylamino)benzamide?
N-cyclohexyl-4-(quinolin-8-ylsulfonylamino)benzamide has a molecular weight of 409.51 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(quinolin-8-ylsulfonylamino)benzamide is sourced from PubChem (CID 1287296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).