N-[(3-hydroxyoxolan-3-yl)methyl]-4-methoxybenzenesulfonamide

C12H17NO5S — CID 103848152

IUPACN-[(3-hydroxyoxolan-3-yl)methyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC2(O)CCOC2)cc1
InChIInChI=1S/C12H17NO5S/c1-17-10-2-4-11(5-3-10)19(15,16)13-8-12(14)6-7-18-9-12/h2-5,13-14H,6-9H2,1H3
InChIKeyDPOQHVZLWHOKIB-UHFFFAOYSA-N
MW287.34 g/mol
LogP0.12
Rot. Bonds5

About N-[(3-hydroxyoxolan-3-yl)methyl]-4-methoxybenzenesulfonamide

N-[(3-hydroxyoxolan-3-yl)methyl]-4-methoxybenzenesulfonamide (PubChem CID 103848152) has the molecular formula C12H17NO5S and a molecular weight of 287.34 g/mol. Its IUPAC name is N-[(3-hydroxyoxolan-3-yl)methyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(3-hydroxyoxolan-3-yl)methyl]-4-methoxybenzenesulfonamide
PubChem CID103848152
Molecular FormulaC12H17NO5S
Molecular Weight287.34 g/mol
Exact Mass287.08
IUPAC NameN-[(3-hydroxyoxolan-3-yl)methyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC2(O)CCOC2)cc1
InChIInChI=1S/C12H17NO5S/c1-17-10-2-4-11(5-3-10)19(15,16)13-8-12(14)6-7-18-9-12/h2-5,13-14H,6-9H2,1H3
InChIKeyDPOQHVZLWHOKIB-UHFFFAOYSA-N
XLogP0.12
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(3-hydroxyoxolan-3-yl)methyl]-4-methoxybenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide
CID 103848060
N-[(3-hydroxyoxolan-3-yl)methyl]-4-nitrobenzenesulfonamide
CID 103848059
3-fluoro-N-[(3-hydroxyoxolan-3-yl)methyl]-4-methylbenzenesulfonamide
CID 103848081
3-amino-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide
CID 104868491
6-cyano-N-[(3-hydroxyoxolan-3-yl)methyl]pyridine-3-sulfonamide
CID 103848198
3,5-dichloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide
CID 103848049
1-[(3-hydroxyoxolan-3-yl)methyl]-3-(4-methoxyphenyl)urea
CID 103847569
methyl 3-[(3-hydroxyoxolan-3-yl)methylsulfamoyl]thiophene-2-carboxylate
CID 103848035
5-bromo-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methoxybenzenesulfonamide
CID 103848139
1-[[(4-methoxyphenyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid
CID 113312097
4-methoxy-N-[(4-phenylsulfanyloxan-4-yl)methyl]benzenesulfonamide
CID 90604736
3-[(4-methoxyphenyl)sulfonylamino]oxolane-3-carboxylic acid
CID 64888281

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxyoxolan-3-yl)methyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[(3-hydroxyoxolan-3-yl)methyl]-4-methoxybenzenesulfonamide (CID 103848152) is N-[(3-hydroxyoxolan-3-yl)methyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[(3-hydroxyoxolan-3-yl)methyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[(3-hydroxyoxolan-3-yl)methyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCC2(O)CCOC2)cc1.
What is the InChIKey of N-[(3-hydroxyoxolan-3-yl)methyl]-4-methoxybenzenesulfonamide?
The InChIKey is DPOQHVZLWHOKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5S/c1-17-10-2-4-11(5-3-10)19(15,16)13-8-12(14)6-7-18-9-12/h2-5,13-14H,6-9H2,1H3.
What are the key properties of N-[(3-hydroxyoxolan-3-yl)methyl]-4-methoxybenzenesulfonamide?
N-[(3-hydroxyoxolan-3-yl)methyl]-4-methoxybenzenesulfonamide has a molecular weight of 287.34 g/mol, XLogP of 0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxyoxolan-3-yl)methyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 103848152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).