5-(hydroxymethyl)-1-methyl-N-octan-4-ylpyrrole-3-sulfonamide

C14H26N2O3S — CID 106022477

IUPAC5-(hydroxymethyl)-1-methyl-N-octan-4-ylpyrrole-3-sulfonamide
SMILESCCCCC(CCC)NS(=O)(=O)c1cc(CO)n(C)c1
InChIInChI=1S/C14H26N2O3S/c1-4-6-8-12(7-5-2)15-20(18,19)14-9-13(11-17)16(3)10-14/h9-10,12,15,17H,4-8,11H2,1-3H3
InChIKeyMQQAVNNZFSVYSA-UHFFFAOYSA-N
MW302.44 g/mol
LogP2.15
Rot. Bonds9

About 5-(hydroxymethyl)-1-methyl-N-octan-4-ylpyrrole-3-sulfonamide

5-(hydroxymethyl)-1-methyl-N-octan-4-ylpyrrole-3-sulfonamide (PubChem CID 106022477) has the molecular formula C14H26N2O3S and a molecular weight of 302.44 g/mol. Its IUPAC name is 5-(hydroxymethyl)-1-methyl-N-octan-4-ylpyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(hydroxymethyl)-1-methyl-N-octan-4-ylpyrrole-3-sulfonamide
PubChem CID106022477
Molecular FormulaC14H26N2O3S
Molecular Weight302.44 g/mol
Exact Mass302.17
IUPAC Name5-(hydroxymethyl)-1-methyl-N-octan-4-ylpyrrole-3-sulfonamide
SMILESCCCCC(CCC)NS(=O)(=O)c1cc(CO)n(C)c1
InChIInChI=1S/C14H26N2O3S/c1-4-6-8-12(7-5-2)15-20(18,19)14-9-13(11-17)16(3)10-14/h9-10,12,15,17H,4-8,11H2,1-3H3
InChIKeyMQQAVNNZFSVYSA-UHFFFAOYSA-N
XLogP2.15
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(hydroxymethyl)-N-octan-4-yl-1H-pyrrole-3-sulfonamide
CID 106022501
5-(hydroxymethyl)-1-methyl-N-(5-methylhexyl)pyrrole-3-sulfonamide
CID 115327459
4-fluoro-3-(hydroxymethyl)-N-octan-4-ylbenzenesulfonamide
CID 106022413
5-(aminomethyl)-1-methyl-N-octan-2-ylpyrrole-3-sulfonamide
CID 106008386
5-(hydroxymethyl)-1-methyl-N-(2,3,3-trimethylbutyl)pyrrole-3-sulfonamide
CID 83147385
N-nonan-4-ylbenzenesulfonamide
CID 174769116
2-amino-N-octan-4-ylpyrimidine-5-sulfonamide
CID 106027708
2-bromo-5-(hydroxymethyl)-N-octan-4-ylbenzenesulfonamide
CID 106022484
N-(2-ethylhexyl)-1-methyl-5-(methylaminomethyl)pyrrole-3-sulfonamide
CID 107818779
5-(hydroxymethyl)-1-methyl-N-(thian-4-yl)pyrrole-3-sulfonamide
CID 114135604
2-chloro-N-octan-4-ylpyridine-4-sulfonamide
CID 114138590
5-(aminomethyl)-N-hexan-3-yl-1-propan-2-ylpyrrole-3-sulfonamide
CID 106055445

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-1-methyl-N-octan-4-ylpyrrole-3-sulfonamide?
The IUPAC name of 5-(hydroxymethyl)-1-methyl-N-octan-4-ylpyrrole-3-sulfonamide (CID 106022477) is 5-(hydroxymethyl)-1-methyl-N-octan-4-ylpyrrole-3-sulfonamide.
What is the SMILES notation for 5-(hydroxymethyl)-1-methyl-N-octan-4-ylpyrrole-3-sulfonamide?
The canonical SMILES for 5-(hydroxymethyl)-1-methyl-N-octan-4-ylpyrrole-3-sulfonamide is CCCCC(CCC)NS(=O)(=O)c1cc(CO)n(C)c1.
What is the InChIKey of 5-(hydroxymethyl)-1-methyl-N-octan-4-ylpyrrole-3-sulfonamide?
The InChIKey is MQQAVNNZFSVYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3S/c1-4-6-8-12(7-5-2)15-20(18,19)14-9-13(11-17)16(3)10-14/h9-10,12,15,17H,4-8,11H2,1-3H3.
What are the key properties of 5-(hydroxymethyl)-1-methyl-N-octan-4-ylpyrrole-3-sulfonamide?
5-(hydroxymethyl)-1-methyl-N-octan-4-ylpyrrole-3-sulfonamide has a molecular weight of 302.44 g/mol, XLogP of 2.15, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-1-methyl-N-octan-4-ylpyrrole-3-sulfonamide is sourced from PubChem (CID 106022477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).