4-phenoxy-N-[(1R,2R)-2-sulfanylcyclopentyl]benzenesulfonamide

C17H19NO3S2 — CID 71682916

IUPAC4-phenoxy-N-[(1R,2R)-2-sulfanylcyclopentyl]benzenesulfonamide
SMILESO=S(=O)(N[C@@H]1CCC[C@H]1S)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C17H19NO3S2/c19-23(20,18-16-7-4-8-17(16)22)15-11-9-14(10-12-15)21-13-5-2-1-3-6-13/h1-3,5-6,9-12,16-18,22H,4,7-8H2/t16-,17-/m1/s1
InChIKeyYTQYMJLEQVXIPD-IAGOWNOFSA-N
MW349.48 g/mol
LogP3.61
Rot. Bonds5

About 4-phenoxy-N-[(1R,2R)-2-sulfanylcyclopentyl]benzenesulfonamide

4-phenoxy-N-[(1R,2R)-2-sulfanylcyclopentyl]benzenesulfonamide (PubChem CID 71682916) has the molecular formula C17H19NO3S2 and a molecular weight of 349.48 g/mol. Its IUPAC name is 4-phenoxy-N-[(1R,2R)-2-sulfanylcyclopentyl]benzenesulfonamide.

Molecular Properties

Compound Name4-phenoxy-N-[(1R,2R)-2-sulfanylcyclopentyl]benzenesulfonamide
PubChem CID71682916
Molecular FormulaC17H19NO3S2
Molecular Weight349.48 g/mol
Exact Mass349.08
IUPAC Name4-phenoxy-N-[(1R,2R)-2-sulfanylcyclopentyl]benzenesulfonamide
SMILESO=S(=O)(N[C@@H]1CCC[C@H]1S)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C17H19NO3S2/c19-23(20,18-16-7-4-8-17(16)22)15-11-9-14(10-12-15)21-13-5-2-1-3-6-13/h1-3,5-6,9-12,16-18,22H,4,7-8H2/t16-,17-/m1/s1
InChIKeyYTQYMJLEQVXIPD-IAGOWNOFSA-N
XLogP3.61
TPSA55.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-[(3S,4S)-1-chloro-4-sulfanylpyrrolidin-3-yl]-4-phenoxybenzenesulfonamide
CID 143954718
4-methyl-N-[(1R,2R)-2-sulfanylcyclohexyl]benzenesulfonamide
CID 25140124
cis-(1R,2S)-2-[(4-phenoxyphenyl)sulfonylmethyl]cyclopentane-1-thiol
CID 159387605
cis-(1S,2R)-2-[(4-phenoxyphenyl)sulfonylmethyl]cyclopentane-1-thiol
CID 159387606
4-chloro-N-(2-phenoxycyclohexyl)benzenesulfonamide
CID 2912969
N-(2-bromocyclopentyl)benzenesulfonamide
CID 18999501
4-methoxy-N-[(1S,2S)-2-[(4-methoxyphenyl)sulfonylamino]cyclohexyl]benzenesulfonamide
CID 101075407
4-phenoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 43876005
N-[2-(aminomethyl)cyclopentyl]-4-ethoxybenzenesulfonamide;hydrochloride
CID 119985851
N-(4-azaspiro[2.5]octan-7-yl)-4-phenoxybenzenesulfonamide
CID 166269430
[2-(benzenesulfonamido)cyclohexyl]-dimethylazanium
CID 4243978
N-[2-(aminomethyl)cyclopentyl]-4-methoxybenzenesulfonamide;hydrochloride
CID 119985790

Frequently Asked Questions

What is the IUPAC name of 4-phenoxy-N-[(1R,2R)-2-sulfanylcyclopentyl]benzenesulfonamide?
The IUPAC name of 4-phenoxy-N-[(1R,2R)-2-sulfanylcyclopentyl]benzenesulfonamide (CID 71682916) is 4-phenoxy-N-[(1R,2R)-2-sulfanylcyclopentyl]benzenesulfonamide.
What is the SMILES notation for 4-phenoxy-N-[(1R,2R)-2-sulfanylcyclopentyl]benzenesulfonamide?
The canonical SMILES for 4-phenoxy-N-[(1R,2R)-2-sulfanylcyclopentyl]benzenesulfonamide is O=S(=O)(N[C@@H]1CCC[C@H]1S)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 4-phenoxy-N-[(1R,2R)-2-sulfanylcyclopentyl]benzenesulfonamide?
The InChIKey is YTQYMJLEQVXIPD-IAGOWNOFSA-N. The full InChI is InChI=1S/C17H19NO3S2/c19-23(20,18-16-7-4-8-17(16)22)15-11-9-14(10-12-15)21-13-5-2-1-3-6-13/h1-3,5-6,9-12,16-18,22H,4,7-8H2/t16-,17-/m1/s1.
What are the key properties of 4-phenoxy-N-[(1R,2R)-2-sulfanylcyclopentyl]benzenesulfonamide?
4-phenoxy-N-[(1R,2R)-2-sulfanylcyclopentyl]benzenesulfonamide has a molecular weight of 349.48 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxy-N-[(1R,2R)-2-sulfanylcyclopentyl]benzenesulfonamide is sourced from PubChem (CID 71682916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).