3-amino-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide

C11H16N2O4S — CID 104868491

IUPAC3-amino-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide
SMILESNc1cccc(S(=O)(=O)NCC2(O)CCOC2)c1
InChIInChI=1S/C11H16N2O4S/c12-9-2-1-3-10(6-9)18(15,16)13-7-11(14)4-5-17-8-11/h1-3,6,13-14H,4-5,7-8,12H2
InChIKeyCYVWQPHEPFCTEJ-UHFFFAOYSA-N
MW272.33 g/mol
LogP-0.30
Rot. Bonds4

About 3-amino-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide

3-amino-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide (PubChem CID 104868491) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is 3-amino-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide
PubChem CID104868491
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Name3-amino-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide
SMILESNc1cccc(S(=O)(=O)NCC2(O)CCOC2)c1
InChIInChI=1S/C11H16N2O4S/c12-9-2-1-3-10(6-9)18(15,16)13-7-11(14)4-5-17-8-11/h1-3,6,13-14H,4-5,7-8,12H2
InChIKeyCYVWQPHEPFCTEJ-UHFFFAOYSA-N
XLogP-0.30
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide
CID 103848060
3-amino-N-[(1-hydroxycyclobutyl)methyl]benzenesulfonamide
CID 113498452
4-amino-2-bromo-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide
CID 106099294
3,5-dichloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide
CID 103848049
2-(3-aminophenoxy)-N-[(3-hydroxyoxolan-3-yl)methyl]ethanesulfonamide
CID 106099193
N-[(3-hydroxyoxolan-3-yl)methyl]-4-methoxybenzenesulfonamide
CID 103848152
4-amino-2,6-difluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide
CID 106099213
3-fluoro-N-[(3-hydroxyoxolan-3-yl)methyl]-4-methylbenzenesulfonamide
CID 103848081
2,6-dichloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide
CID 103848090
2,6-difluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide
CID 103848108
3-amino-5-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]-4-methylbenzenesulfonamide
CID 106099275
N-[(3-hydroxyoxolan-3-yl)methyl]-4-nitrobenzenesulfonamide
CID 103848059

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 3-amino-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide (CID 104868491) is 3-amino-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-amino-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3-amino-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide is Nc1cccc(S(=O)(=O)NCC2(O)CCOC2)c1.
What is the InChIKey of 3-amino-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide?
The InChIKey is CYVWQPHEPFCTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c12-9-2-1-3-10(6-9)18(15,16)13-7-11(14)4-5-17-8-11/h1-3,6,13-14H,4-5,7-8,12H2.
What are the key properties of 3-amino-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide?
3-amino-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide has a molecular weight of 272.33 g/mol, XLogP of -0.30, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 104868491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).