N-[4-(2-hydroxyethyl)cyclohexyl]naphthalene-2-sulfonamide

C18H23NO3S — CID 56941570

IUPACN-[4-(2-hydroxyethyl)cyclohexyl]naphthalene-2-sulfonamide
SMILESO=S(=O)(NC1CCC(CCO)CC1)c1ccc2ccccc2c1
InChIInChI=1S/C18H23NO3S/c20-12-11-14-5-8-17(9-6-14)19-23(21,22)18-10-7-15-3-1-2-4-16(15)13-18/h1-4,7,10,13-14,17,19-20H,5-6,8-9,11-12H2
InChIKeyALXNYSFLMYPNNE-UHFFFAOYSA-N
MW333.45 g/mol
LogP3.06
Rot. Bonds5

About N-[4-(2-hydroxyethyl)cyclohexyl]naphthalene-2-sulfonamide

N-[4-(2-hydroxyethyl)cyclohexyl]naphthalene-2-sulfonamide (PubChem CID 56941570) has the molecular formula C18H23NO3S and a molecular weight of 333.45 g/mol. Its IUPAC name is N-[4-(2-hydroxyethyl)cyclohexyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[4-(2-hydroxyethyl)cyclohexyl]naphthalene-2-sulfonamide
PubChem CID56941570
Molecular FormulaC18H23NO3S
Molecular Weight333.45 g/mol
Exact Mass333.14
IUPAC NameN-[4-(2-hydroxyethyl)cyclohexyl]naphthalene-2-sulfonamide
SMILESO=S(=O)(NC1CCC(CCO)CC1)c1ccc2ccccc2c1
InChIInChI=1S/C18H23NO3S/c20-12-11-14-5-8-17(9-6-14)19-23(21,22)18-10-7-15-3-1-2-4-16(15)13-18/h1-4,7,10,13-14,17,19-20H,5-6,8-9,11-12H2
InChIKeyALXNYSFLMYPNNE-UHFFFAOYSA-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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Related Compounds

N-((2R,3S)-3-Amino-2-hydroxy-4-phenylbutyl)naphthalene-2-sulfonamide
CID 9543486
(S)-(-)-N-(1-(Hydroxymethyl)-2-phenylethyl)-4-methylbenzenesulfonamide
CID 688331
[1,1':4',1''-Terphenyl]-4-sulfonamide, N-(5-hydroxypentyl)-
CID 11610936
4-tert-butyl-N-[4-(2-hydroxyethyl)cyclohexyl]benzenesulfonamide
CID 56941568
N-[4-(2-hydroxyethyl)cyclohexyl]-4-phenylbenzenesulfonamide
CID 56941569
N-cyclohexylnaphthalene-2-sulfonamide
CID 873772
(1-Naphthalen-2-ylsulfonylpiperidin-2-yl)methanol
CID 3714477
[1,1'-Biphenyl]-4-sulfonamide, N-(6-hydroxyhexyl)-
CID 16094718
N-[1-(Hydroxymethyl)-2-phenylethyl]-4-methylbenzenesulfonamide
CID 5155581
N-(1-hydroxybutan-2-yl)naphthalene-2-sulfonamide
CID 4162074
N-(2-hydroxyethyl)-2-naphthalenesulfonamide
CID 15942936
N-[(1-hydroxycyclopentyl)methyl]naphthalene-2-sulfonamide
CID 49718111

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-hydroxyethyl)cyclohexyl]naphthalene-2-sulfonamide?
The IUPAC name of N-[4-(2-hydroxyethyl)cyclohexyl]naphthalene-2-sulfonamide (CID 56941570) is N-[4-(2-hydroxyethyl)cyclohexyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[4-(2-hydroxyethyl)cyclohexyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[4-(2-hydroxyethyl)cyclohexyl]naphthalene-2-sulfonamide is O=S(=O)(NC1CCC(CCO)CC1)c1ccc2ccccc2c1.
What is the InChIKey of N-[4-(2-hydroxyethyl)cyclohexyl]naphthalene-2-sulfonamide?
The InChIKey is ALXNYSFLMYPNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3S/c20-12-11-14-5-8-17(9-6-14)19-23(21,22)18-10-7-15-3-1-2-4-16(15)13-18/h1-4,7,10,13-14,17,19-20H,5-6,8-9,11-12H2.
What are the key properties of N-[4-(2-hydroxyethyl)cyclohexyl]naphthalene-2-sulfonamide?
N-[4-(2-hydroxyethyl)cyclohexyl]naphthalene-2-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-[4-(2-hydroxyethyl)cyclohexyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 56941570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).