4-chloro-N-cyclohexyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide

C18H25ClN2O4S — CID 987000

IUPAC4-chloro-N-cyclohexyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
SMILESO=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1)N1CCOCC1
InChIInChI=1S/C18H25ClN2O4S/c19-15-6-8-17(9-7-15)26(23,24)21(16-4-2-1-3-5-16)14-18(22)20-10-12-25-13-11-20/h6-9,16H,1-5,10-14H2
InChIKeyXJKZAKFTINWYJT-UHFFFAOYSA-N
MW400.93 g/mol
LogP2.52
Rot. Bonds5

About 4-chloro-N-cyclohexyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide

4-chloro-N-cyclohexyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide (PubChem CID 987000) has the molecular formula C18H25ClN2O4S and a molecular weight of 400.93 g/mol. Its IUPAC name is 4-chloro-N-cyclohexyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-cyclohexyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
PubChem CID987000
Molecular FormulaC18H25ClN2O4S
Molecular Weight400.93 g/mol
Exact Mass400.12
IUPAC Name4-chloro-N-cyclohexyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
SMILESO=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1)N1CCOCC1
InChIInChI=1S/C18H25ClN2O4S/c19-15-6-8-17(9-7-15)26(23,24)21(16-4-2-1-3-5-16)14-18(22)20-10-12-25-13-11-20/h6-9,16H,1-5,10-14H2
InChIKeyXJKZAKFTINWYJT-UHFFFAOYSA-N
XLogP2.52
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.93
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclohexyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-cyclohexyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide (CID 987000) is 4-chloro-N-cyclohexyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-cyclohexyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-cyclohexyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide is O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1)N1CCOCC1.
What is the InChIKey of 4-chloro-N-cyclohexyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide?
The InChIKey is XJKZAKFTINWYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O4S/c19-15-6-8-17(9-7-15)26(23,24)21(16-4-2-1-3-5-16)14-18(22)20-10-12-25-13-11-20/h6-9,16H,1-5,10-14H2.
What are the key properties of 4-chloro-N-cyclohexyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide?
4-chloro-N-cyclohexyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide has a molecular weight of 400.93 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cyclohexyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide is sourced from PubChem (CID 987000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).