4-propan-2-yloxy-N-(2-pyrrol-1-ylethyl)benzenesulfonamide

C15H20N2O3S — CID 110716379

IUPAC4-propan-2-yloxy-N-(2-pyrrol-1-ylethyl)benzenesulfonamide
SMILESCC(C)Oc1ccc(S(=O)(=O)NCCn2cccc2)cc1
InChIInChI=1S/C15H20N2O3S/c1-13(2)20-14-5-7-15(8-6-14)21(18,19)16-9-12-17-10-3-4-11-17/h3-8,10-11,13,16H,9,12H2,1-2H3
InChIKeyRNARTFRNHAIIBB-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.25
Rot. Bonds7

About 4-propan-2-yloxy-N-(2-pyrrol-1-ylethyl)benzenesulfonamide

4-propan-2-yloxy-N-(2-pyrrol-1-ylethyl)benzenesulfonamide (PubChem CID 110716379) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 4-propan-2-yloxy-N-(2-pyrrol-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-propan-2-yloxy-N-(2-pyrrol-1-ylethyl)benzenesulfonamide
PubChem CID110716379
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name4-propan-2-yloxy-N-(2-pyrrol-1-ylethyl)benzenesulfonamide
SMILESCC(C)Oc1ccc(S(=O)(=O)NCCn2cccc2)cc1
InChIInChI=1S/C15H20N2O3S/c1-13(2)20-14-5-7-15(8-6-14)21(18,19)16-9-12-17-10-3-4-11-17/h3-8,10-11,13,16H,9,12H2,1-2H3
InChIKeyRNARTFRNHAIIBB-UHFFFAOYSA-N
XLogP2.25
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide
CID 110721099
4-propan-2-yl-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide
CID 71079087
4-methyl-N-[3-(4-methylphenyl)-3-(4-propan-2-yloxyphenyl)propyl]benzenesulfonamide
CID 3739700
4-methyl-N-[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]benzenesulfonamide
CID 3729209
N-[2-(4-methoxyphenyl)ethyl]-4-propan-2-yloxybenzenesulfonamide
CID 110755601
N-[2-(methylamino)propyl]-4-propan-2-yloxybenzenesulfonamide
CID 120824310
4-methyl-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide
CID 71053685
N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-4-propan-2-yloxybenzenesulfonamide
CID 21092272
N-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-yloxybenzenesulfonamide
CID 110736321
N-[2-(2,3-dimethylphenoxy)ethyl]-4-propan-2-yloxybenzenesulfonamide
CID 113100982
N-[2-[4-(azidomethyl)piperidin-1-yl]ethyl]-4-propan-2-yloxybenzenesulfonamide
CID 162435422
N-[2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)ethyl]-4-propan-2-yloxybenzenesulfonamide
CID 113092314

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxy-N-(2-pyrrol-1-ylethyl)benzenesulfonamide?
The IUPAC name of 4-propan-2-yloxy-N-(2-pyrrol-1-ylethyl)benzenesulfonamide (CID 110716379) is 4-propan-2-yloxy-N-(2-pyrrol-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-propan-2-yloxy-N-(2-pyrrol-1-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-propan-2-yloxy-N-(2-pyrrol-1-ylethyl)benzenesulfonamide is CC(C)Oc1ccc(S(=O)(=O)NCCn2cccc2)cc1.
What is the InChIKey of 4-propan-2-yloxy-N-(2-pyrrol-1-ylethyl)benzenesulfonamide?
The InChIKey is RNARTFRNHAIIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-13(2)20-14-5-7-15(8-6-14)21(18,19)16-9-12-17-10-3-4-11-17/h3-8,10-11,13,16H,9,12H2,1-2H3.
What are the key properties of 4-propan-2-yloxy-N-(2-pyrrol-1-ylethyl)benzenesulfonamide?
4-propan-2-yloxy-N-(2-pyrrol-1-ylethyl)benzenesulfonamide has a molecular weight of 308.40 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxy-N-(2-pyrrol-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 110716379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).