4-(2-chlorophenyl)sulfonyl-N-cyclohexyl-3-nitrobenzamide

C19H19ClN2O5S — CID 4105633

IUPAC4-(2-chlorophenyl)sulfonyl-N-cyclohexyl-3-nitrobenzamide
SMILESO=C(NC1CCCCC1)c1ccc(S(=O)(=O)c2ccccc2Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C19H19ClN2O5S/c20-15-8-4-5-9-17(15)28(26,27)18-11-10-13(12-16(18)22(24)25)19(23)21-14-6-2-1-3-7-14/h4-5,8-12,14H,1-3,6-7H2,(H,21,23)
InChIKeyWYFZHGBEAWXGNA-UHFFFAOYSA-N
MW422.89 g/mol
LogP4.14
Rot. Bonds5

About 4-(2-chlorophenyl)sulfonyl-N-cyclohexyl-3-nitrobenzamide

4-(2-chlorophenyl)sulfonyl-N-cyclohexyl-3-nitrobenzamide (PubChem CID 4105633) has the molecular formula C19H19ClN2O5S and a molecular weight of 422.89 g/mol. Its IUPAC name is 4-(2-chlorophenyl)sulfonyl-N-cyclohexyl-3-nitrobenzamide.

Molecular Properties

Compound Name4-(2-chlorophenyl)sulfonyl-N-cyclohexyl-3-nitrobenzamide
PubChem CID4105633
Molecular FormulaC19H19ClN2O5S
Molecular Weight422.89 g/mol
Exact Mass422.07
IUPAC Name4-(2-chlorophenyl)sulfonyl-N-cyclohexyl-3-nitrobenzamide
SMILESO=C(NC1CCCCC1)c1ccc(S(=O)(=O)c2ccccc2Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C19H19ClN2O5S/c20-15-8-4-5-9-17(15)28(26,27)18-11-10-13(12-16(18)22(24)25)19(23)21-14-6-2-1-3-7-14/h4-5,8-12,14H,1-3,6-7H2,(H,21,23)
InChIKeyWYFZHGBEAWXGNA-UHFFFAOYSA-N
XLogP4.14
TPSA106.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.89
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-chlorophenyl)ethyl]-4-(2-chlorophenyl)sulfonyl-3-nitrobenzamide
CID 4105630
4-chloro-N-cyclobutyl-3-nitrobenzamide
CID 62415356
N-cyclohexyl-4-(cyclohexylamino)-3-nitrobenzamide
CID 2959407
ethyl 2-[4-(cycloheptylcarbamoyl)-2-nitrophenyl]sulfonylacetate
CID 3250626
4-amino-N-cyclopentyl-3-nitrobenzamide
CID 25466600
N-cyclopentyl-3-nitro-4-piperidin-1-ylbenzamide
CID 23738990
N-cycloheptyl-3-nitro-4-piperidin-1-ylbenzamide
CID 7312159
4-chloro-N-cyclohexyl-3-piperidin-1-ylsulfonylbenzamide
CID 1068470
3-(azepan-1-ylsulfonyl)-4-chloro-N-cyclohexylbenzamide
CID 1216844
4-chloro-N-cyclohexyl-3-methylsulfonylbenzamide
CID 17456227
[4-(2-chlorophenyl)piperazin-1-yl]-[4-(2-chlorophenyl)sulfonyl-3-nitrophenyl]methanone
CID 4105634
N-cyclohexyl-4-methoxy-3-nitrobenzamide
CID 711599

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)sulfonyl-N-cyclohexyl-3-nitrobenzamide?
The IUPAC name of 4-(2-chlorophenyl)sulfonyl-N-cyclohexyl-3-nitrobenzamide (CID 4105633) is 4-(2-chlorophenyl)sulfonyl-N-cyclohexyl-3-nitrobenzamide.
What is the SMILES notation for 4-(2-chlorophenyl)sulfonyl-N-cyclohexyl-3-nitrobenzamide?
The canonical SMILES for 4-(2-chlorophenyl)sulfonyl-N-cyclohexyl-3-nitrobenzamide is O=C(NC1CCCCC1)c1ccc(S(=O)(=O)c2ccccc2Cl)c([N+](=O)[O-])c1.
What is the InChIKey of 4-(2-chlorophenyl)sulfonyl-N-cyclohexyl-3-nitrobenzamide?
The InChIKey is WYFZHGBEAWXGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O5S/c20-15-8-4-5-9-17(15)28(26,27)18-11-10-13(12-16(18)22(24)25)19(23)21-14-6-2-1-3-7-14/h4-5,8-12,14H,1-3,6-7H2,(H,21,23).
What are the key properties of 4-(2-chlorophenyl)sulfonyl-N-cyclohexyl-3-nitrobenzamide?
4-(2-chlorophenyl)sulfonyl-N-cyclohexyl-3-nitrobenzamide has a molecular weight of 422.89 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)sulfonyl-N-cyclohexyl-3-nitrobenzamide is sourced from PubChem (CID 4105633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).