N-[4-(2-hydroxyethyl)cyclohexyl]-4-phenylbenzenesulfonamide

C20H25NO3S — CID 56941569

IUPACN-[4-(2-hydroxyethyl)cyclohexyl]-4-phenylbenzenesulfonamide
SMILESO=S(=O)(NC1CCC(CCO)CC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H25NO3S/c22-15-14-16-6-10-19(11-7-16)21-25(23,24)20-12-8-18(9-13-20)17-4-2-1-3-5-17/h1-5,8-9,12-13,16,19,21-22H,6-7,10-11,14-15H2
InChIKeyJLEMIOGDJBMFAI-UHFFFAOYSA-N
MW359.49 g/mol
LogP3.57
Rot. Bonds6

About N-[4-(2-hydroxyethyl)cyclohexyl]-4-phenylbenzenesulfonamide

N-[4-(2-hydroxyethyl)cyclohexyl]-4-phenylbenzenesulfonamide (PubChem CID 56941569) has the molecular formula C20H25NO3S and a molecular weight of 359.49 g/mol. Its IUPAC name is N-[4-(2-hydroxyethyl)cyclohexyl]-4-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(2-hydroxyethyl)cyclohexyl]-4-phenylbenzenesulfonamide
PubChem CID56941569
Molecular FormulaC20H25NO3S
Molecular Weight359.49 g/mol
Exact Mass359.16
IUPAC NameN-[4-(2-hydroxyethyl)cyclohexyl]-4-phenylbenzenesulfonamide
SMILESO=S(=O)(NC1CCC(CCO)CC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H25NO3S/c22-15-14-16-6-10-19(11-7-16)21-25(23,24)20-12-8-18(9-13-20)17-4-2-1-3-5-17/h1-5,8-9,12-13,16,19,21-22H,6-7,10-11,14-15H2
InChIKeyJLEMIOGDJBMFAI-UHFFFAOYSA-N
XLogP3.57
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.49
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-hydroxyethyl)cyclohexyl]-4-phenylbenzenesulfonamide?
The IUPAC name of N-[4-(2-hydroxyethyl)cyclohexyl]-4-phenylbenzenesulfonamide (CID 56941569) is N-[4-(2-hydroxyethyl)cyclohexyl]-4-phenylbenzenesulfonamide.
What is the SMILES notation for N-[4-(2-hydroxyethyl)cyclohexyl]-4-phenylbenzenesulfonamide?
The canonical SMILES for N-[4-(2-hydroxyethyl)cyclohexyl]-4-phenylbenzenesulfonamide is O=S(=O)(NC1CCC(CCO)CC1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[4-(2-hydroxyethyl)cyclohexyl]-4-phenylbenzenesulfonamide?
The InChIKey is JLEMIOGDJBMFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3S/c22-15-14-16-6-10-19(11-7-16)21-25(23,24)20-12-8-18(9-13-20)17-4-2-1-3-5-17/h1-5,8-9,12-13,16,19,21-22H,6-7,10-11,14-15H2.
What are the key properties of N-[4-(2-hydroxyethyl)cyclohexyl]-4-phenylbenzenesulfonamide?
N-[4-(2-hydroxyethyl)cyclohexyl]-4-phenylbenzenesulfonamide has a molecular weight of 359.49 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-hydroxyethyl)cyclohexyl]-4-phenylbenzenesulfonamide is sourced from PubChem (CID 56941569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).