4-cyclohexyl-N-[4-[(R)-methylsulfinyl]phenyl]benzenesulfonamide

C19H23NO3S2 — CID 95781125

IUPAC4-cyclohexyl-N-[4-[(R)-methylsulfinyl]phenyl]benzenesulfonamide
SMILESC[S@@](=O)c1ccc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1
InChIInChI=1S/C19H23NO3S2/c1-24(21)18-11-9-17(10-12-18)20-25(22,23)19-13-7-16(8-14-19)15-5-3-2-4-6-15/h7-15,20H,2-6H2,1H3/t24-/m1/s1
InChIKeyHWYVBKJYXBRLPL-XMMPIXPASA-N
MW377.53 g/mol
LogP4.27
Rot. Bonds5

About 4-cyclohexyl-N-[4-[(R)-methylsulfinyl]phenyl]benzenesulfonamide

4-cyclohexyl-N-[4-[(R)-methylsulfinyl]phenyl]benzenesulfonamide (PubChem CID 95781125) has the molecular formula C19H23NO3S2 and a molecular weight of 377.53 g/mol. Its IUPAC name is 4-cyclohexyl-N-[4-[(R)-methylsulfinyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-cyclohexyl-N-[4-[(R)-methylsulfinyl]phenyl]benzenesulfonamide
PubChem CID95781125
Molecular FormulaC19H23NO3S2
Molecular Weight377.53 g/mol
Exact Mass377.11
IUPAC Name4-cyclohexyl-N-[4-[(R)-methylsulfinyl]phenyl]benzenesulfonamide
SMILESC[S@@](=O)c1ccc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1
InChIInChI=1S/C19H23NO3S2/c1-24(21)18-11-9-17(10-12-18)20-25(22,23)19-13-7-16(8-14-19)15-5-3-2-4-6-15/h7-15,20H,2-6H2,1H3/t24-/m1/s1
InChIKeyHWYVBKJYXBRLPL-XMMPIXPASA-N
XLogP4.27
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-yl 4-[(4-cyclohexylphenyl)sulfonylamino]benzoate
CID 7938910
1-[4-[(4-cyclohexylphenyl)sulfonylamino]phenyl]-N-methylcyclopropane-1-carboxamide
CID 46378340
5-[(4-cyclohexylphenyl)sulfonylamino]-N,2-dimethylbenzenesulfonamide
CID 8519759
4-cyclohexyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 24656637
1-cyclohexyl-4-(dimethylsulfamoylamino)benzene
CID 110776745
4-cyclohexyl-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 43532736
4-cyclohexyl-N-(3-hydroxyphenyl)benzenesulfonamide
CID 18515473
4-cyclohexyl-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzenesulfonamide
CID 25420949
4-cyclohexyl-N-[4-(1,2,4-triazol-1-yl)phenyl]benzenesulfonamide
CID 25499358
N-(4-cyclobutylphenyl)methanesulfonamide
CID 170179821
N-(cyclohexylmethyl)-1-[4-[(4-cyclohexylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 46378300
N-butan-2-yl-1-[4-[(4-cyclohexylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 20971624

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-N-[4-[(R)-methylsulfinyl]phenyl]benzenesulfonamide?
The IUPAC name of 4-cyclohexyl-N-[4-[(R)-methylsulfinyl]phenyl]benzenesulfonamide (CID 95781125) is 4-cyclohexyl-N-[4-[(R)-methylsulfinyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-cyclohexyl-N-[4-[(R)-methylsulfinyl]phenyl]benzenesulfonamide?
The canonical SMILES for 4-cyclohexyl-N-[4-[(R)-methylsulfinyl]phenyl]benzenesulfonamide is C[S@@](=O)c1ccc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1.
What is the InChIKey of 4-cyclohexyl-N-[4-[(R)-methylsulfinyl]phenyl]benzenesulfonamide?
The InChIKey is HWYVBKJYXBRLPL-XMMPIXPASA-N. The full InChI is InChI=1S/C19H23NO3S2/c1-24(21)18-11-9-17(10-12-18)20-25(22,23)19-13-7-16(8-14-19)15-5-3-2-4-6-15/h7-15,20H,2-6H2,1H3/t24-/m1/s1.
What are the key properties of 4-cyclohexyl-N-[4-[(R)-methylsulfinyl]phenyl]benzenesulfonamide?
4-cyclohexyl-N-[4-[(R)-methylsulfinyl]phenyl]benzenesulfonamide has a molecular weight of 377.53 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-N-[4-[(R)-methylsulfinyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 95781125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).