3-amino-N-[(1-hydroxycyclobutyl)methyl]benzenesulfonamide

C11H16N2O3S — CID 113498452

IUPAC3-amino-N-[(1-hydroxycyclobutyl)methyl]benzenesulfonamide
SMILESNc1cccc(S(=O)(=O)NCC2(O)CCC2)c1
InChIInChI=1S/C11H16N2O3S/c12-9-3-1-4-10(7-9)17(15,16)13-8-11(14)5-2-6-11/h1,3-4,7,13-14H,2,5-6,8,12H2
InChIKeyBOMIKPMAGCOYJX-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.46
Rot. Bonds4

About 3-amino-N-[(1-hydroxycyclobutyl)methyl]benzenesulfonamide

3-amino-N-[(1-hydroxycyclobutyl)methyl]benzenesulfonamide (PubChem CID 113498452) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 3-amino-N-[(1-hydroxycyclobutyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-[(1-hydroxycyclobutyl)methyl]benzenesulfonamide
PubChem CID113498452
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name3-amino-N-[(1-hydroxycyclobutyl)methyl]benzenesulfonamide
SMILESNc1cccc(S(=O)(=O)NCC2(O)CCC2)c1
InChIInChI=1S/C11H16N2O3S/c12-9-3-1-4-10(7-9)17(15,16)13-8-11(14)5-2-6-11/h1,3-4,7,13-14H,2,5-6,8,12H2
InChIKeyBOMIKPMAGCOYJX-UHFFFAOYSA-N
XLogP0.46
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide
CID 104868491
3-bromo-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide
CID 65122167
3-amino-N-[(1-cyclopropylcyclopropyl)methyl]benzenesulfonamide
CID 113498468
3-acetyl-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 65109388
3-amino-N-[(1-hydroxycyclohexyl)methyl]-5-methylbenzenesulfonamide
CID 65102883
3-amino-4-fluoro-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 65103398
4-amino-3-bromo-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide
CID 65123279
3,4-dichloro-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 65117612
4-amino-N-[(1-hydroxycyclohexyl)methyl]-2-methylbenzenesulfonamide
CID 65102885
N-[(1-hydroxycyclobutyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 115753938
6-amino-N-[(1-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide
CID 65102882
3-chloro-N-[[(3S)-3-hydroxypiperidin-3-yl]methyl]benzenesulfonamide
CID 125443896

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1-hydroxycyclobutyl)methyl]benzenesulfonamide?
The IUPAC name of 3-amino-N-[(1-hydroxycyclobutyl)methyl]benzenesulfonamide (CID 113498452) is 3-amino-N-[(1-hydroxycyclobutyl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-amino-N-[(1-hydroxycyclobutyl)methyl]benzenesulfonamide?
The canonical SMILES for 3-amino-N-[(1-hydroxycyclobutyl)methyl]benzenesulfonamide is Nc1cccc(S(=O)(=O)NCC2(O)CCC2)c1.
What is the InChIKey of 3-amino-N-[(1-hydroxycyclobutyl)methyl]benzenesulfonamide?
The InChIKey is BOMIKPMAGCOYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c12-9-3-1-4-10(7-9)17(15,16)13-8-11(14)5-2-6-11/h1,3-4,7,13-14H,2,5-6,8,12H2.
What are the key properties of 3-amino-N-[(1-hydroxycyclobutyl)methyl]benzenesulfonamide?
3-amino-N-[(1-hydroxycyclobutyl)methyl]benzenesulfonamide has a molecular weight of 256.33 g/mol, XLogP of 0.46, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(1-hydroxycyclobutyl)methyl]benzenesulfonamide is sourced from PubChem (CID 113498452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).