5-(hydroxymethyl)-N-(2-methyloxan-4-yl)-1-propylpyrrole-3-sulfonamide

C14H24N2O4S — CID 106002604

IUPAC5-(hydroxymethyl)-N-(2-methyloxan-4-yl)-1-propylpyrrole-3-sulfonamide
SMILESCCCn1cc(S(=O)(=O)NC2CCOC(C)C2)cc1CO
InChIInChI=1S/C14H24N2O4S/c1-3-5-16-9-14(8-13(16)10-17)21(18,19)15-12-4-6-20-11(2)7-12/h8-9,11-12,15,17H,3-7,10H2,1-2H3
InChIKeyXBCKWUYPHKNJNR-UHFFFAOYSA-N
MW316.42 g/mol
LogP1.24
Rot. Bonds6

About 5-(hydroxymethyl)-N-(2-methyloxan-4-yl)-1-propylpyrrole-3-sulfonamide

5-(hydroxymethyl)-N-(2-methyloxan-4-yl)-1-propylpyrrole-3-sulfonamide (PubChem CID 106002604) has the molecular formula C14H24N2O4S and a molecular weight of 316.42 g/mol. Its IUPAC name is 5-(hydroxymethyl)-N-(2-methyloxan-4-yl)-1-propylpyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(hydroxymethyl)-N-(2-methyloxan-4-yl)-1-propylpyrrole-3-sulfonamide
PubChem CID106002604
Molecular FormulaC14H24N2O4S
Molecular Weight316.42 g/mol
Exact Mass316.15
IUPAC Name5-(hydroxymethyl)-N-(2-methyloxan-4-yl)-1-propylpyrrole-3-sulfonamide
SMILESCCCn1cc(S(=O)(=O)NC2CCOC(C)C2)cc1CO
InChIInChI=1S/C14H24N2O4S/c1-3-5-16-9-14(8-13(16)10-17)21(18,19)15-12-4-6-20-11(2)7-12/h8-9,11-12,15,17H,3-7,10H2,1-2H3
InChIKeyXBCKWUYPHKNJNR-UHFFFAOYSA-N
XLogP1.24
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-N-(2-hydroxy-2-(1-methyl-1H-pyrrol-2-yl)ethyl)benzenesulfonamide
CID 71781613
4-fluoro-N-[2-hydroxy-2-(1-methyl-1H-pyrrol-2-yl)ethyl]-2-methylbenzene-1-sulfonamide
CID 71781615
2-(2-Fluoro-1-hydroxypropyl)pyridine-3-sulfonamide
CID 101227610
(S)-2-(o-fluorophenylsulfonylamino)-1-(1-methyl-2-pyrrolyl)-1-ethanol
CID 95982536
N-[(3S)-3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]benzenesulfonamide
CID 99997672
(S)-3-(4-fluoro-2-tolylsulfonylamino)-1-(1-methyl-2-pyrrolyl)-1-propanol
CID 99997715
N-tert-butyl-2-(2-fluoro-1-hydroxypropyl)pyridine-3-sulfonamide
CID 22648719
N-tert-butyl-2-(2-fluoro-1-hydroxybutyl)pyridine-3-sulfonamide
CID 23228230
5-[(3,4-difluoroanilino)-hydroxymethyl]-1-methyl-N-(2,2,2-trifluoroethyl)pyrrole-3-sulfonamide
CID 126493770
5-[(3,4-difluoroanilino)-hydroxymethyl]-4-fluoro-1-methyl-N-propan-2-ylpyrrole-3-sulfonamide
CID 134233563
4-fluoro-5-[hydroxy-(2,3,4-trifluoroanilino)methyl]-1-methyl-N-propan-2-ylpyrrole-3-sulfonamide
CID 134233573
2-fluoro-N-[(2S)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]cyclohexane-1-sulfonamide
CID 140917779

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-N-(2-methyloxan-4-yl)-1-propylpyrrole-3-sulfonamide?
The IUPAC name of 5-(hydroxymethyl)-N-(2-methyloxan-4-yl)-1-propylpyrrole-3-sulfonamide (CID 106002604) is 5-(hydroxymethyl)-N-(2-methyloxan-4-yl)-1-propylpyrrole-3-sulfonamide.
What is the SMILES notation for 5-(hydroxymethyl)-N-(2-methyloxan-4-yl)-1-propylpyrrole-3-sulfonamide?
The canonical SMILES for 5-(hydroxymethyl)-N-(2-methyloxan-4-yl)-1-propylpyrrole-3-sulfonamide is CCCn1cc(S(=O)(=O)NC2CCOC(C)C2)cc1CO.
What is the InChIKey of 5-(hydroxymethyl)-N-(2-methyloxan-4-yl)-1-propylpyrrole-3-sulfonamide?
The InChIKey is XBCKWUYPHKNJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4S/c1-3-5-16-9-14(8-13(16)10-17)21(18,19)15-12-4-6-20-11(2)7-12/h8-9,11-12,15,17H,3-7,10H2,1-2H3.
What are the key properties of 5-(hydroxymethyl)-N-(2-methyloxan-4-yl)-1-propylpyrrole-3-sulfonamide?
5-(hydroxymethyl)-N-(2-methyloxan-4-yl)-1-propylpyrrole-3-sulfonamide has a molecular weight of 316.42 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-N-(2-methyloxan-4-yl)-1-propylpyrrole-3-sulfonamide is sourced from PubChem (CID 106002604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).