N-cyclohexyl-3-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]benzenesulfonamide

C24H33NO4S2 — CID 158174529

IUPACN-cyclohexyl-3-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]benzenesulfonamide
SMILESCC(C)S(=O)(=O)Cc1ccc(CCc2cccc(S(=O)(=O)NC3CCCCC3)c2)cc1
InChIInChI=1S/C24H33NO4S2/c1-19(2)30(26,27)18-22-15-12-20(13-16-22)11-14-21-7-6-10-24(17-21)31(28,29)25-23-8-4-3-5-9-23/h6-7,10,12-13,15-17,19,23,25H,3-5,8-9,11,14,18H2,1-2H3
InChIKeyWSGIYJSQQHRLAN-UHFFFAOYSA-N
MW463.67 g/mol
LogP4.41
Rot. Bonds9

About N-cyclohexyl-3-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]benzenesulfonamide

N-cyclohexyl-3-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]benzenesulfonamide (PubChem CID 158174529) has the molecular formula C24H33NO4S2 and a molecular weight of 463.67 g/mol. Its IUPAC name is N-cyclohexyl-3-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]benzenesulfonamide
PubChem CID158174529
Molecular FormulaC24H33NO4S2
Molecular Weight463.67 g/mol
Exact Mass463.19
IUPAC NameN-cyclohexyl-3-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]benzenesulfonamide
SMILESCC(C)S(=O)(=O)Cc1ccc(CCc2cccc(S(=O)(=O)NC3CCCCC3)c2)cc1
InChIInChI=1S/C24H33NO4S2/c1-19(2)30(26,27)18-22-15-12-20(13-16-22)11-14-21-7-6-10-24(17-21)31(28,29)25-23-8-4-3-5-9-23/h6-7,10,12-13,15-17,19,23,25H,3-5,8-9,11,14,18H2,1-2H3
InChIKeyWSGIYJSQQHRLAN-UHFFFAOYSA-N
XLogP4.41
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.67
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-3-(propan-2-yloxymethyl)benzenesulfonamide
CID 71691365
3-(1-aminoethyl)-N-cyclopentylbenzenesulfonamide
CID 43101815
3-(3-amino-2-hydroxypropyl)-N-cyclohexylbenzenesulfonamide
CID 59280856
N-cyclohexyl-3-methylsulfonylbenzenesulfonamide
CID 6462647
N-cyclooctyl-3-methylbenzenesulfonamide
CID 2497018
N-cyclopropyl-3-ethylbenzenesulfonamide
CID 70914015
N-cyclohexyl-3-[[4-(propan-2-ylsulfonylamino)phenyl]methylamino]benzenesulfonamide
CID 70939182
N-cyclooctyl-4-propylbenzenesulfonamide
CID 19681104
2-methyl-5-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-2,3-dihydro-1H-indene
CID 159263769
N-[3-(cyclohexylsulfamoyl)phenyl]acetamide
CID 47314930
3-(2-phenylethyl)-N-propan-2-ylbenzenesulfonamide
CID 91202186
N-cyclooctyl-3-fluorobenzenesulfonamide
CID 26948335

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]benzenesulfonamide?
The IUPAC name of N-cyclohexyl-3-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]benzenesulfonamide (CID 158174529) is N-cyclohexyl-3-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]benzenesulfonamide.
What is the SMILES notation for N-cyclohexyl-3-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]benzenesulfonamide?
The canonical SMILES for N-cyclohexyl-3-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]benzenesulfonamide is CC(C)S(=O)(=O)Cc1ccc(CCc2cccc(S(=O)(=O)NC3CCCCC3)c2)cc1.
What is the InChIKey of N-cyclohexyl-3-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]benzenesulfonamide?
The InChIKey is WSGIYJSQQHRLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO4S2/c1-19(2)30(26,27)18-22-15-12-20(13-16-22)11-14-21-7-6-10-24(17-21)31(28,29)25-23-8-4-3-5-9-23/h6-7,10,12-13,15-17,19,23,25H,3-5,8-9,11,14,18H2,1-2H3.
What are the key properties of N-cyclohexyl-3-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]benzenesulfonamide?
N-cyclohexyl-3-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]benzenesulfonamide has a molecular weight of 463.67 g/mol, XLogP of 4.41, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]benzenesulfonamide is sourced from PubChem (CID 158174529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).