N-[(1R,2R)-2-hydroxycyclohexyl]naphthalene-1-sulfonamide

C16H19NO3S — CID 104922343

IUPACN-[(1R,2R)-2-hydroxycyclohexyl]naphthalene-1-sulfonamide
SMILESO=S(=O)(N[C@@H]1CCCC[C@H]1O)c1cccc2ccccc12
InChIInChI=1S/C16H19NO3S/c18-15-10-4-3-9-14(15)17-21(19,20)16-11-5-7-12-6-1-2-8-13(12)16/h1-2,5-8,11,14-15,17-18H,3-4,9-10H2/t14-,15-/m1/s1
InChIKeyNBFUYCKXNNOWJY-HUUCEWRRSA-N
MW305.40 g/mol
LogP2.42
Rot. Bonds3

About N-[(1R,2R)-2-hydroxycyclohexyl]naphthalene-1-sulfonamide

N-[(1R,2R)-2-hydroxycyclohexyl]naphthalene-1-sulfonamide (PubChem CID 104922343) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-[(1R,2R)-2-hydroxycyclohexyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-hydroxycyclohexyl]naphthalene-1-sulfonamide
PubChem CID104922343
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC NameN-[(1R,2R)-2-hydroxycyclohexyl]naphthalene-1-sulfonamide
SMILESO=S(=O)(N[C@@H]1CCCC[C@H]1O)c1cccc2ccccc12
InChIInChI=1S/C16H19NO3S/c18-15-10-4-3-9-14(15)17-21(19,20)16-11-5-7-12-6-1-2-8-13(12)16/h1-2,5-8,11,14-15,17-18H,3-4,9-10H2/t14-,15-/m1/s1
InChIKeyNBFUYCKXNNOWJY-HUUCEWRRSA-N
XLogP2.42
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]naphthalene-1-sulfonamide;hydrochloride
CID 119986179
N-cyclohexylnaphthalene-1-sulfonamide
CID 3812052
trans-(1S,2S)-2-(naphthalen-1-ylsulfonylamino)cyclopentane-1-carboxamide
CID 97001353
trans-(1R,2R)-2-(naphthalen-1-ylsulfonylamino)cyclopentane-1-carboxamide
CID 97001354
N-[(1S,2S)-2-hydroxycyclohexyl]-2-(trifluoromethyl)benzenesulfonamide
CID 104953174
N-[(1S,2S)-2-hydroxycyclohexyl]-2-nitrobenzenesulfonamide
CID 101369255
N-[(3S)-piperidin-3-yl]naphthalene-1-sulfonamide
CID 104982537
N-[(2R)-2-cyclohexyl-2-hydroxyethyl]naphthalene-1-sulfonamide
CID 95367551
N-(2-hydroxycyclohexyl)-2-(methylamino)pyridine-3-sulfonamide
CID 55063851
2-(naphthalen-1-ylamino)cycloheptan-1-ol
CID 60897825
N-(1-methylpiperidin-3-yl)naphthalene-1-sulfonamide
CID 115684087
N-[(2-aminocyclopentyl)methyl]naphthalene-1-sulfonamide
CID 115752311

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-hydroxycyclohexyl]naphthalene-1-sulfonamide?
The IUPAC name of N-[(1R,2R)-2-hydroxycyclohexyl]naphthalene-1-sulfonamide (CID 104922343) is N-[(1R,2R)-2-hydroxycyclohexyl]naphthalene-1-sulfonamide.
What is the SMILES notation for N-[(1R,2R)-2-hydroxycyclohexyl]naphthalene-1-sulfonamide?
The canonical SMILES for N-[(1R,2R)-2-hydroxycyclohexyl]naphthalene-1-sulfonamide is O=S(=O)(N[C@@H]1CCCC[C@H]1O)c1cccc2ccccc12.
What is the InChIKey of N-[(1R,2R)-2-hydroxycyclohexyl]naphthalene-1-sulfonamide?
The InChIKey is NBFUYCKXNNOWJY-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H19NO3S/c18-15-10-4-3-9-14(15)17-21(19,20)16-11-5-7-12-6-1-2-8-13(12)16/h1-2,5-8,11,14-15,17-18H,3-4,9-10H2/t14-,15-/m1/s1.
What are the key properties of N-[(1R,2R)-2-hydroxycyclohexyl]naphthalene-1-sulfonamide?
N-[(1R,2R)-2-hydroxycyclohexyl]naphthalene-1-sulfonamide has a molecular weight of 305.40 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-hydroxycyclohexyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 104922343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).