N-(2,5-dihydroxyphenyl)pyrrolidine-1-sulfonamide

C10H14N2O4S — CID 154467539

IUPACN-(2,5-dihydroxyphenyl)pyrrolidine-1-sulfonamide
SMILESO=S(=O)(Nc1cc(O)ccc1O)N1CCCC1
InChIInChI=1S/C10H14N2O4S/c13-8-3-4-10(14)9(7-8)11-17(15,16)12-5-1-2-6-12/h3-4,7,11,13-14H,1-2,5-6H2
InChIKeyWZIGADNOPFEVNH-UHFFFAOYSA-N
MW258.30 g/mol
LogP0.85
Rot. Bonds3

About N-(2,5-dihydroxyphenyl)pyrrolidine-1-sulfonamide

N-(2,5-dihydroxyphenyl)pyrrolidine-1-sulfonamide (PubChem CID 154467539) has the molecular formula C10H14N2O4S and a molecular weight of 258.30 g/mol. Its IUPAC name is N-(2,5-dihydroxyphenyl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-(2,5-dihydroxyphenyl)pyrrolidine-1-sulfonamide
PubChem CID154467539
Molecular FormulaC10H14N2O4S
Molecular Weight258.30 g/mol
Exact Mass258.07
IUPAC NameN-(2,5-dihydroxyphenyl)pyrrolidine-1-sulfonamide
SMILESO=S(=O)(Nc1cc(O)ccc1O)N1CCCC1
InChIInChI=1S/C10H14N2O4S/c13-8-3-4-10(14)9(7-8)11-17(15,16)12-5-1-2-6-12/h3-4,7,11,13-14H,1-2,5-6H2
InChIKeyWZIGADNOPFEVNH-UHFFFAOYSA-N
XLogP0.85
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxy-5-methylphenyl)pyrrolidine-1-sulfonamide
CID 54936857
N-(2-hydroxy-5-methoxyphenyl)pyrrolidine-1-sulfonamide
CID 103760192
N-(5-fluoro-2-hydroxyphenyl)morpholine-4-sulfonamide
CID 64794956
N-(2-hydroxy-4-methylphenyl)morpholine-4-sulfonamide
CID 43436716
N-(3-bromo-2-hydroxyphenyl)pyrrolidine-1-sulfonamide
CID 81494529
N-(2-hydroxy-5-methoxyphenyl)-4-methylpiperidine-1-sulfonamide
CID 102696009
3-hydroxy-4-(morpholin-4-ylsulfonylamino)benzoic acid
CID 60827859
4-chloro-3-(pyrrolidin-1-ylsulfonylamino)benzoic acid
CID 29280963
N-(2,5-dihydroxyphenyl)octadeca-1,3,5,7,9,11,13,15,17-nonayne-1-sulfonamide
CID 21135098
N-(2-chloro-5-sulfamoylphenyl)piperidine-1-sulfonamide
CID 61132456
2-(azepan-1-ylsulfonylamino)-5-iodobenzoic acid
CID 63111221
N-(2-methyl-5-sulfamoylphenyl)piperidine-1-sulfonamide
CID 61132651

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dihydroxyphenyl)pyrrolidine-1-sulfonamide?
The IUPAC name of N-(2,5-dihydroxyphenyl)pyrrolidine-1-sulfonamide (CID 154467539) is N-(2,5-dihydroxyphenyl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-(2,5-dihydroxyphenyl)pyrrolidine-1-sulfonamide?
The canonical SMILES for N-(2,5-dihydroxyphenyl)pyrrolidine-1-sulfonamide is O=S(=O)(Nc1cc(O)ccc1O)N1CCCC1.
What is the InChIKey of N-(2,5-dihydroxyphenyl)pyrrolidine-1-sulfonamide?
The InChIKey is WZIGADNOPFEVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S/c13-8-3-4-10(14)9(7-8)11-17(15,16)12-5-1-2-6-12/h3-4,7,11,13-14H,1-2,5-6H2.
What are the key properties of N-(2,5-dihydroxyphenyl)pyrrolidine-1-sulfonamide?
N-(2,5-dihydroxyphenyl)pyrrolidine-1-sulfonamide has a molecular weight of 258.30 g/mol, XLogP of 0.85, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dihydroxyphenyl)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 154467539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).