5-(hydroxymethyl)-2-methoxy-N-[2-(oxolan-3-yl)ethyl]benzenesulfonamide

C14H21NO5S — CID 106002086

IUPAC5-(hydroxymethyl)-2-methoxy-N-[2-(oxolan-3-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc(CO)cc1S(=O)(=O)NCCC1CCOC1
InChIInChI=1S/C14H21NO5S/c1-19-13-3-2-12(9-16)8-14(13)21(17,18)15-6-4-11-5-7-20-10-11/h2-3,8,11,15-16H,4-7,9-10H2,1H3
InChIKeyPNOLCNHIHROVEZ-UHFFFAOYSA-N
MW315.39 g/mol
LogP0.89
Rot. Bonds7

About 5-(hydroxymethyl)-2-methoxy-N-[2-(oxolan-3-yl)ethyl]benzenesulfonamide

5-(hydroxymethyl)-2-methoxy-N-[2-(oxolan-3-yl)ethyl]benzenesulfonamide (PubChem CID 106002086) has the molecular formula C14H21NO5S and a molecular weight of 315.39 g/mol. Its IUPAC name is 5-(hydroxymethyl)-2-methoxy-N-[2-(oxolan-3-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name5-(hydroxymethyl)-2-methoxy-N-[2-(oxolan-3-yl)ethyl]benzenesulfonamide
PubChem CID106002086
Molecular FormulaC14H21NO5S
Molecular Weight315.39 g/mol
Exact Mass315.11
IUPAC Name5-(hydroxymethyl)-2-methoxy-N-[2-(oxolan-3-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc(CO)cc1S(=O)(=O)NCCC1CCOC1
InChIInChI=1S/C14H21NO5S/c1-19-13-3-2-12(9-16)8-14(13)21(17,18)15-6-4-11-5-7-20-10-11/h2-3,8,11,15-16H,4-7,9-10H2,1H3
InChIKeyPNOLCNHIHROVEZ-UHFFFAOYSA-N
XLogP0.89
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-4-(hydroxymethyl)-N-[2-(oxolan-3-yl)ethyl]benzenesulfonamide
CID 106002108
2-fluoro-5-(methylaminomethyl)-N-[2-(oxolan-3-yl)ethyl]benzenesulfonamide
CID 106092820
5-(aminomethyl)-2-methoxy-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 106062917
2-bromo-4-(methylaminomethyl)-N-[2-(oxolan-3-yl)ethyl]benzenesulfonamide
CID 106092876
2-fluoro-4-(hydroxymethyl)-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 79187243
4-chloro-3-(hydroxymethyl)-N-[2-(oxolan-3-yl)ethyl]benzenesulfonamide
CID 106002146
5-(hydroxymethyl)-N-[2-(oxolan-3-yl)ethyl]-1H-pyrrole-3-sulfonamide
CID 106002154
2-methoxy-4-[[2-(oxolan-3-yl)ethylamino]methyl]phenol
CID 102671737
3-bromo-4-methoxy-N-[2-(oxolan-3-yl)ethyl]benzamide
CID 113415100
3,4-dimethoxy-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 47203510
5-(ethylaminomethyl)-2-methyl-N-[2-(oxolan-3-yl)ethyl]furan-3-sulfonamide
CID 106092877
5-(hydroxymethyl)-2-methoxybenzenesulfonic acid
CID 87294269

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-2-methoxy-N-[2-(oxolan-3-yl)ethyl]benzenesulfonamide?
The IUPAC name of 5-(hydroxymethyl)-2-methoxy-N-[2-(oxolan-3-yl)ethyl]benzenesulfonamide (CID 106002086) is 5-(hydroxymethyl)-2-methoxy-N-[2-(oxolan-3-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 5-(hydroxymethyl)-2-methoxy-N-[2-(oxolan-3-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 5-(hydroxymethyl)-2-methoxy-N-[2-(oxolan-3-yl)ethyl]benzenesulfonamide is COc1ccc(CO)cc1S(=O)(=O)NCCC1CCOC1.
What is the InChIKey of 5-(hydroxymethyl)-2-methoxy-N-[2-(oxolan-3-yl)ethyl]benzenesulfonamide?
The InChIKey is PNOLCNHIHROVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO5S/c1-19-13-3-2-12(9-16)8-14(13)21(17,18)15-6-4-11-5-7-20-10-11/h2-3,8,11,15-16H,4-7,9-10H2,1H3.
What are the key properties of 5-(hydroxymethyl)-2-methoxy-N-[2-(oxolan-3-yl)ethyl]benzenesulfonamide?
5-(hydroxymethyl)-2-methoxy-N-[2-(oxolan-3-yl)ethyl]benzenesulfonamide has a molecular weight of 315.39 g/mol, XLogP of 0.89, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-2-methoxy-N-[2-(oxolan-3-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 106002086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).