N-(2-cyclohexylpyrazol-3-yl)-3-morpholin-4-ylsulfonylbenzamide

C20H26N4O4S — CID 4849692

IUPACN-(2-cyclohexylpyrazol-3-yl)-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(Nc1ccnn1C1CCCCC1)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C20H26N4O4S/c25-20(22-19-9-10-21-24(19)17-6-2-1-3-7-17)16-5-4-8-18(15-16)29(26,27)23-11-13-28-14-12-23/h4-5,8-10,15,17H,1-3,6-7,11-14H2,(H,22,25)
InChIKeyPDOJRCHFOFYWIM-UHFFFAOYSA-N
MW418.52 g/mol
LogP2.66
Rot. Bonds5

About N-(2-cyclohexylpyrazol-3-yl)-3-morpholin-4-ylsulfonylbenzamide

N-(2-cyclohexylpyrazol-3-yl)-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 4849692) has the molecular formula C20H26N4O4S and a molecular weight of 418.52 g/mol. Its IUPAC name is N-(2-cyclohexylpyrazol-3-yl)-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2-cyclohexylpyrazol-3-yl)-3-morpholin-4-ylsulfonylbenzamide
PubChem CID4849692
Molecular FormulaC20H26N4O4S
Molecular Weight418.52 g/mol
Exact Mass418.17
IUPAC NameN-(2-cyclohexylpyrazol-3-yl)-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(Nc1ccnn1C1CCCCC1)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C20H26N4O4S/c25-20(22-19-9-10-21-24(19)17-6-2-1-3-7-17)16-5-4-8-18(15-16)29(26,27)23-11-13-28-14-12-23/h4-5,8-10,15,17H,1-3,6-7,11-14H2,(H,22,25)
InChIKeyPDOJRCHFOFYWIM-UHFFFAOYSA-N
XLogP2.66
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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N-(2-cyclohexylpyrazol-3-yl)-3-methylbenzamide
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N-(2-cyclohexylpyrazol-3-yl)benzamide
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CID 16572020
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CID 1081958
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CID 51312508
N-(2-iodophenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 5217633
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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylpyrazol-3-yl)-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(2-cyclohexylpyrazol-3-yl)-3-morpholin-4-ylsulfonylbenzamide (CID 4849692) is N-(2-cyclohexylpyrazol-3-yl)-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(2-cyclohexylpyrazol-3-yl)-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(2-cyclohexylpyrazol-3-yl)-3-morpholin-4-ylsulfonylbenzamide is O=C(Nc1ccnn1C1CCCCC1)c1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N-(2-cyclohexylpyrazol-3-yl)-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is PDOJRCHFOFYWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4S/c25-20(22-19-9-10-21-24(19)17-6-2-1-3-7-17)16-5-4-8-18(15-16)29(26,27)23-11-13-28-14-12-23/h4-5,8-10,15,17H,1-3,6-7,11-14H2,(H,22,25).
What are the key properties of N-(2-cyclohexylpyrazol-3-yl)-3-morpholin-4-ylsulfonylbenzamide?
N-(2-cyclohexylpyrazol-3-yl)-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 418.52 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylpyrazol-3-yl)-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 4849692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).