4-(benzenesulfonyl)-2-(2-chlorophenyl)-N-cyclohexyl-N-methyl-1,3-oxazol-5-amine

C22H23ClN2O3S — CID 2382128

IUPAC4-(benzenesulfonyl)-2-(2-chlorophenyl)-N-cyclohexyl-N-methyl-1,3-oxazol-5-amine
SMILESCN(c1oc(-c2ccccc2Cl)nc1S(=O)(=O)c1ccccc1)C1CCCCC1
InChIInChI=1S/C22H23ClN2O3S/c1-25(16-10-4-2-5-11-16)22-21(29(26,27)17-12-6-3-7-13-17)24-20(28-22)18-14-8-9-15-19(18)23/h3,6-9,12-16H,2,4-5,10-11H2,1H3
InChIKeyXFFBNBQCJRJYCV-UHFFFAOYSA-N
MW430.96 g/mol
LogP5.60
Rot. Bonds5

About 4-(benzenesulfonyl)-2-(2-chlorophenyl)-N-cyclohexyl-N-methyl-1,3-oxazol-5-amine

4-(benzenesulfonyl)-2-(2-chlorophenyl)-N-cyclohexyl-N-methyl-1,3-oxazol-5-amine (PubChem CID 2382128) has the molecular formula C22H23ClN2O3S and a molecular weight of 430.96 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-2-(2-chlorophenyl)-N-cyclohexyl-N-methyl-1,3-oxazol-5-amine.

Molecular Properties

Compound Name4-(benzenesulfonyl)-2-(2-chlorophenyl)-N-cyclohexyl-N-methyl-1,3-oxazol-5-amine
PubChem CID2382128
Molecular FormulaC22H23ClN2O3S
Molecular Weight430.96 g/mol
Exact Mass430.11
IUPAC Name4-(benzenesulfonyl)-2-(2-chlorophenyl)-N-cyclohexyl-N-methyl-1,3-oxazol-5-amine
SMILESCN(c1oc(-c2ccccc2Cl)nc1S(=O)(=O)c1ccccc1)C1CCCCC1
InChIInChI=1S/C22H23ClN2O3S/c1-25(16-10-4-2-5-11-16)22-21(29(26,27)17-12-6-3-7-13-17)24-20(28-22)18-14-8-9-15-19(18)23/h3,6-9,12-16H,2,4-5,10-11H2,1H3
InChIKeyXFFBNBQCJRJYCV-UHFFFAOYSA-N
XLogP5.60
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.96
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-2-(2-chlorophenyl)-N-cyclohexyl-N-methyl-1,3-oxazol-5-amine?
The IUPAC name of 4-(benzenesulfonyl)-2-(2-chlorophenyl)-N-cyclohexyl-N-methyl-1,3-oxazol-5-amine (CID 2382128) is 4-(benzenesulfonyl)-2-(2-chlorophenyl)-N-cyclohexyl-N-methyl-1,3-oxazol-5-amine.
What is the SMILES notation for 4-(benzenesulfonyl)-2-(2-chlorophenyl)-N-cyclohexyl-N-methyl-1,3-oxazol-5-amine?
The canonical SMILES for 4-(benzenesulfonyl)-2-(2-chlorophenyl)-N-cyclohexyl-N-methyl-1,3-oxazol-5-amine is CN(c1oc(-c2ccccc2Cl)nc1S(=O)(=O)c1ccccc1)C1CCCCC1.
What is the InChIKey of 4-(benzenesulfonyl)-2-(2-chlorophenyl)-N-cyclohexyl-N-methyl-1,3-oxazol-5-amine?
The InChIKey is XFFBNBQCJRJYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O3S/c1-25(16-10-4-2-5-11-16)22-21(29(26,27)17-12-6-3-7-13-17)24-20(28-22)18-14-8-9-15-19(18)23/h3,6-9,12-16H,2,4-5,10-11H2,1H3.
What are the key properties of 4-(benzenesulfonyl)-2-(2-chlorophenyl)-N-cyclohexyl-N-methyl-1,3-oxazol-5-amine?
4-(benzenesulfonyl)-2-(2-chlorophenyl)-N-cyclohexyl-N-methyl-1,3-oxazol-5-amine has a molecular weight of 430.96 g/mol, XLogP of 5.60, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-2-(2-chlorophenyl)-N-cyclohexyl-N-methyl-1,3-oxazol-5-amine is sourced from PubChem (CID 2382128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).