N-[(2R)-2-cyclohexyl-2-hydroxyethyl]naphthalene-1-sulfonamide

C18H23NO3S — CID 95367551

IUPACN-[(2R)-2-cyclohexyl-2-hydroxyethyl]naphthalene-1-sulfonamide
SMILESO=S(=O)(NC[C@H](O)C1CCCCC1)c1cccc2ccccc12
InChIInChI=1S/C18H23NO3S/c20-17(15-8-2-1-3-9-15)13-19-23(21,22)18-12-6-10-14-7-4-5-11-16(14)18/h4-7,10-12,15,17,19-20H,1-3,8-9,13H2/t17-/m0/s1
InChIKeyJRTMRBRQLKGJAI-KRWDZBQOSA-N
MW333.45 g/mol
LogP3.06
Rot. Bonds5

About N-[(2R)-2-cyclohexyl-2-hydroxyethyl]naphthalene-1-sulfonamide

N-[(2R)-2-cyclohexyl-2-hydroxyethyl]naphthalene-1-sulfonamide (PubChem CID 95367551) has the molecular formula C18H23NO3S and a molecular weight of 333.45 g/mol. Its IUPAC name is N-[(2R)-2-cyclohexyl-2-hydroxyethyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-cyclohexyl-2-hydroxyethyl]naphthalene-1-sulfonamide
PubChem CID95367551
Molecular FormulaC18H23NO3S
Molecular Weight333.45 g/mol
Exact Mass333.14
IUPAC NameN-[(2R)-2-cyclohexyl-2-hydroxyethyl]naphthalene-1-sulfonamide
SMILESO=S(=O)(NC[C@H](O)C1CCCCC1)c1cccc2ccccc12
InChIInChI=1S/C18H23NO3S/c20-17(15-8-2-1-3-9-15)13-19-23(21,22)18-12-6-10-14-7-4-5-11-16(14)18/h4-7,10-12,15,17,19-20H,1-3,8-9,13H2/t17-/m0/s1
InChIKeyJRTMRBRQLKGJAI-KRWDZBQOSA-N
XLogP3.06
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-cyclohexyl-2-hydroxyethyl]naphthalene-1-sulfonamide?
The IUPAC name of N-[(2R)-2-cyclohexyl-2-hydroxyethyl]naphthalene-1-sulfonamide (CID 95367551) is N-[(2R)-2-cyclohexyl-2-hydroxyethyl]naphthalene-1-sulfonamide.
What is the SMILES notation for N-[(2R)-2-cyclohexyl-2-hydroxyethyl]naphthalene-1-sulfonamide?
The canonical SMILES for N-[(2R)-2-cyclohexyl-2-hydroxyethyl]naphthalene-1-sulfonamide is O=S(=O)(NC[C@H](O)C1CCCCC1)c1cccc2ccccc12.
What is the InChIKey of N-[(2R)-2-cyclohexyl-2-hydroxyethyl]naphthalene-1-sulfonamide?
The InChIKey is JRTMRBRQLKGJAI-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H23NO3S/c20-17(15-8-2-1-3-9-15)13-19-23(21,22)18-12-6-10-14-7-4-5-11-16(14)18/h4-7,10-12,15,17,19-20H,1-3,8-9,13H2/t17-/m0/s1.
What are the key properties of N-[(2R)-2-cyclohexyl-2-hydroxyethyl]naphthalene-1-sulfonamide?
N-[(2R)-2-cyclohexyl-2-hydroxyethyl]naphthalene-1-sulfonamide has a molecular weight of 333.45 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-cyclohexyl-2-hydroxyethyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 95367551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).