N-(3,4-dihydro-2H-pyrrol-5-yl)-4-methoxybenzenesulfonamide

C11H14N2O3S — CID 125493248

IUPACN-(3,4-dihydro-2H-pyrrol-5-yl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2=NCCC2)cc1
InChIInChI=1S/C11H14N2O3S/c1-16-9-4-6-10(7-5-9)17(14,15)13-11-3-2-8-12-11/h4-7H,2-3,8H2,1H3,(H,12,13)
InChIKeyORWCSJXIEZSOBM-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.17
Rot. Bonds3

About N-(3,4-dihydro-2H-pyrrol-5-yl)-4-methoxybenzenesulfonamide

N-(3,4-dihydro-2H-pyrrol-5-yl)-4-methoxybenzenesulfonamide (PubChem CID 125493248) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyrrol-5-yl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyrrol-5-yl)-4-methoxybenzenesulfonamide
PubChem CID125493248
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC NameN-(3,4-dihydro-2H-pyrrol-5-yl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2=NCCC2)cc1
InChIInChI=1S/C11H14N2O3S/c1-16-9-4-6-10(7-5-9)17(14,15)13-11-3-2-8-12-11/h4-7H,2-3,8H2,1H3,(H,12,13)
InChIKeyORWCSJXIEZSOBM-UHFFFAOYSA-N
XLogP1.17
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-(2,3,4,5-tetrahydropyridin-6-yl)benzenesulfonamide
CID 132523995
6-methoxy-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]quinoline-2-carboxamide
CID 24584233
3-[[4-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]sulfamoyl]benzenesulfonyl fluoride
CID 166405966
4-methoxy-N-phenylbenzenesulfonamide
CID 835273
4-methoxy-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)benzenesulfonamide
CID 122302660
N-(4,6-dimethylpyrimidin-2-yl)-4-methoxybenzenesulfonamide
CID 717519
4-methoxy-N-[(1S,2S)-2-[(4-methoxyphenyl)sulfonylamino]cyclohexyl]benzenesulfonamide
CID 101075407
N-(2-fluorophenyl)-4-methoxybenzenesulfonamide
CID 711138
N-[(2R)-2-(4-methoxyphenyl)-1,2,3,6-tetrahydropyrazin-5-yl]-4-methylbenzenesulfonamide
CID 132533990
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-methoxybenzamide
CID 9117099
4-chloro-N-(4-methoxyphenyl)benzenesulfonamide
CID 722849
4-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 743974

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-pyrrol-5-yl)-4-methoxybenzenesulfonamide?
The IUPAC name of N-(3,4-dihydro-2H-pyrrol-5-yl)-4-methoxybenzenesulfonamide (CID 125493248) is N-(3,4-dihydro-2H-pyrrol-5-yl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(3,4-dihydro-2H-pyrrol-5-yl)-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(3,4-dihydro-2H-pyrrol-5-yl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NC2=NCCC2)cc1.
What is the InChIKey of N-(3,4-dihydro-2H-pyrrol-5-yl)-4-methoxybenzenesulfonamide?
The InChIKey is ORWCSJXIEZSOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c1-16-9-4-6-10(7-5-9)17(14,15)13-11-3-2-8-12-11/h4-7H,2-3,8H2,1H3,(H,12,13).
What are the key properties of N-(3,4-dihydro-2H-pyrrol-5-yl)-4-methoxybenzenesulfonamide?
N-(3,4-dihydro-2H-pyrrol-5-yl)-4-methoxybenzenesulfonamide has a molecular weight of 254.31 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-pyrrol-5-yl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 125493248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).