N-(3-bromo-2-hydroxyphenyl)pyrrolidine-1-sulfonamide

C10H13BrN2O3S — CID 81494529

IUPACN-(3-bromo-2-hydroxyphenyl)pyrrolidine-1-sulfonamide
SMILESO=S(=O)(Nc1cccc(Br)c1O)N1CCCC1
InChIInChI=1S/C10H13BrN2O3S/c11-8-4-3-5-9(10(8)14)12-17(15,16)13-6-1-2-7-13/h3-5,12,14H,1-2,6-7H2
InChIKeyBFRWWTFFYRKCQZ-UHFFFAOYSA-N
MW321.20 g/mol
LogP1.91
Rot. Bonds3

About N-(3-bromo-2-hydroxyphenyl)pyrrolidine-1-sulfonamide

N-(3-bromo-2-hydroxyphenyl)pyrrolidine-1-sulfonamide (PubChem CID 81494529) has the molecular formula C10H13BrN2O3S and a molecular weight of 321.20 g/mol. Its IUPAC name is N-(3-bromo-2-hydroxyphenyl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-(3-bromo-2-hydroxyphenyl)pyrrolidine-1-sulfonamide
PubChem CID81494529
Molecular FormulaC10H13BrN2O3S
Molecular Weight321.20 g/mol
Exact Mass319.98
IUPAC NameN-(3-bromo-2-hydroxyphenyl)pyrrolidine-1-sulfonamide
SMILESO=S(=O)(Nc1cccc(Br)c1O)N1CCCC1
InChIInChI=1S/C10H13BrN2O3S/c11-8-4-3-5-9(10(8)14)12-17(15,16)13-6-1-2-7-13/h3-5,12,14H,1-2,6-7H2
InChIKeyBFRWWTFFYRKCQZ-UHFFFAOYSA-N
XLogP1.91
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.20
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromo-4-fluorophenyl)pyrrolidine-1-sulfonamide
CID 28939191
N-(2,5-dihydroxyphenyl)pyrrolidine-1-sulfonamide
CID 154467539
N-[2-(1-bromoethyl)phenyl]azepane-1-sulfonamide
CID 114294193
N'-hydroxy-2-methyl-6-(pyrrolidin-1-ylsulfonylamino)benzenecarboximidamide
CID 107801069
2-methyl-6-(piperidin-1-ylsulfonylamino)benzenecarbothioamide
CID 107799131
N-(3-bromo-2-methylphenyl)-3-(methylaminomethyl)piperidine-1-sulfonamide
CID 106088172
N-(6-bromo-2-pyridinyl)azepane-1-sulfonamide
CID 43520623
N-(2-hydroxy-5-methylphenyl)pyrrolidine-1-sulfonamide
CID 54936857
N-(5-bromo-2-methylphenyl)piperidine-1-sulfonamide
CID 43806682
N-(2-bromophenyl)-3-(methylaminomethyl)piperidine-1-sulfonamide
CID 106061253
N-phenylpyrrolidine-1-sulfonamide
CID 45117555
N-(2-bromo-5-methoxyphenyl)azepane-1-sulfonamide
CID 63997402

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-hydroxyphenyl)pyrrolidine-1-sulfonamide?
The IUPAC name of N-(3-bromo-2-hydroxyphenyl)pyrrolidine-1-sulfonamide (CID 81494529) is N-(3-bromo-2-hydroxyphenyl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-(3-bromo-2-hydroxyphenyl)pyrrolidine-1-sulfonamide?
The canonical SMILES for N-(3-bromo-2-hydroxyphenyl)pyrrolidine-1-sulfonamide is O=S(=O)(Nc1cccc(Br)c1O)N1CCCC1.
What is the InChIKey of N-(3-bromo-2-hydroxyphenyl)pyrrolidine-1-sulfonamide?
The InChIKey is BFRWWTFFYRKCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O3S/c11-8-4-3-5-9(10(8)14)12-17(15,16)13-6-1-2-7-13/h3-5,12,14H,1-2,6-7H2.
What are the key properties of N-(3-bromo-2-hydroxyphenyl)pyrrolidine-1-sulfonamide?
N-(3-bromo-2-hydroxyphenyl)pyrrolidine-1-sulfonamide has a molecular weight of 321.20 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-hydroxyphenyl)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 81494529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).