2-[(3-hydroxy-3-methylcyclobutyl)amino]benzenesulfonamide

C11H16N2O3S — CID 175896312

IUPAC2-[(3-hydroxy-3-methylcyclobutyl)amino]benzenesulfonamide
SMILESCC1(O)CC(Nc2ccccc2S(N)(=O)=O)C1
InChIInChI=1S/C11H16N2O3S/c1-11(14)6-8(7-11)13-9-4-2-3-5-10(9)17(12,15)16/h2-5,8,13-14H,6-7H2,1H3,(H2,12,15,16)
InChIKeySYXACQRVFSXUOB-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.66
Rot. Bonds3

About 2-[(3-hydroxy-3-methylcyclobutyl)amino]benzenesulfonamide

2-[(3-hydroxy-3-methylcyclobutyl)amino]benzenesulfonamide (PubChem CID 175896312) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 2-[(3-hydroxy-3-methylcyclobutyl)amino]benzenesulfonamide.

Molecular Properties

Compound Name2-[(3-hydroxy-3-methylcyclobutyl)amino]benzenesulfonamide
PubChem CID175896312
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name2-[(3-hydroxy-3-methylcyclobutyl)amino]benzenesulfonamide
SMILESCC1(O)CC(Nc2ccccc2S(N)(=O)=O)C1
InChIInChI=1S/C11H16N2O3S/c1-11(14)6-8(7-11)13-9-4-2-3-5-10(9)17(12,15)16/h2-5,8,13-14H,6-7H2,1H3,(H2,12,15,16)
InChIKeySYXACQRVFSXUOB-UHFFFAOYSA-N
XLogP0.66
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxy-3-methylcyclobutyl)amino]benzenesulfonamide?
The IUPAC name of 2-[(3-hydroxy-3-methylcyclobutyl)amino]benzenesulfonamide (CID 175896312) is 2-[(3-hydroxy-3-methylcyclobutyl)amino]benzenesulfonamide.
What is the SMILES notation for 2-[(3-hydroxy-3-methylcyclobutyl)amino]benzenesulfonamide?
The canonical SMILES for 2-[(3-hydroxy-3-methylcyclobutyl)amino]benzenesulfonamide is CC1(O)CC(Nc2ccccc2S(N)(=O)=O)C1.
What is the InChIKey of 2-[(3-hydroxy-3-methylcyclobutyl)amino]benzenesulfonamide?
The InChIKey is SYXACQRVFSXUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-11(14)6-8(7-11)13-9-4-2-3-5-10(9)17(12,15)16/h2-5,8,13-14H,6-7H2,1H3,(H2,12,15,16).
What are the key properties of 2-[(3-hydroxy-3-methylcyclobutyl)amino]benzenesulfonamide?
2-[(3-hydroxy-3-methylcyclobutyl)amino]benzenesulfonamide has a molecular weight of 256.33 g/mol, XLogP of 0.66, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxy-3-methylcyclobutyl)amino]benzenesulfonamide is sourced from PubChem (CID 175896312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).