4-[(3-methoxycyclobutyl)amino]benzenesulfonamide

C11H16N2O3S — CID 106821257

IUPAC4-[(3-methoxycyclobutyl)amino]benzenesulfonamide
SMILESCOC1CC(Nc2ccc(S(N)(=O)=O)cc2)C1
InChIInChI=1S/C11H16N2O3S/c1-16-10-6-9(7-10)13-8-2-4-11(5-3-8)17(12,14)15/h2-5,9-10,13H,6-7H2,1H3,(H2,12,14,15)
InChIKeyXTPLMJJNIPPVDV-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.92
Rot. Bonds4

About 4-[(3-methoxycyclobutyl)amino]benzenesulfonamide

4-[(3-methoxycyclobutyl)amino]benzenesulfonamide (PubChem CID 106821257) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 4-[(3-methoxycyclobutyl)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[(3-methoxycyclobutyl)amino]benzenesulfonamide
PubChem CID106821257
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name4-[(3-methoxycyclobutyl)amino]benzenesulfonamide
SMILESCOC1CC(Nc2ccc(S(N)(=O)=O)cc2)C1
InChIInChI=1S/C11H16N2O3S/c1-16-10-6-9(7-10)13-8-2-4-11(5-3-8)17(12,14)15/h2-5,9-10,13H,6-7H2,1H3,(H2,12,14,15)
InChIKeyXTPLMJJNIPPVDV-UHFFFAOYSA-N
XLogP0.92
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(3-methoxycyclobutyl)benzene-1,4-disulfonamide
CID 104600653
4-[2-[(3-methoxycyclobutyl)amino]ethyl]benzenesulfonamide
CID 104872021
4-[(4-tert-butylcyclohexyl)amino]benzenesulfonamide
CID 29302845
methyl N-[4-[(3-methoxycyclobutyl)amino]phenyl]carbamate
CID 104870398
3-[(3-methoxycyclobutyl)amino]-2-methylbenzenesulfonamide
CID 106821455
N-(3-methoxycyclobutyl)-4-propan-2-yloxyaniline
CID 104870363
5-[(3-methoxycyclobutyl)amino]-N,2-dimethylbenzenesulfonamide
CID 106821362
4-[1-[(3-methoxycyclohexyl)amino]ethyl]benzenesulfonamide
CID 103911415
4-[(1,1-dioxothian-3-yl)amino]benzenesulfonamide
CID 63908905
3-[(3-methoxycyclohexyl)amino]-4-methylbenzenesulfonamide
CID 106871906
4-[2-[(3-methoxycyclohexyl)amino]ethyl]benzenesulfonamide
CID 106872019
propan-2-yl 4-[(3-methoxycyclobutyl)amino]benzoate
CID 106821328

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxycyclobutyl)amino]benzenesulfonamide?
The IUPAC name of 4-[(3-methoxycyclobutyl)amino]benzenesulfonamide (CID 106821257) is 4-[(3-methoxycyclobutyl)amino]benzenesulfonamide.
What is the SMILES notation for 4-[(3-methoxycyclobutyl)amino]benzenesulfonamide?
The canonical SMILES for 4-[(3-methoxycyclobutyl)amino]benzenesulfonamide is COC1CC(Nc2ccc(S(N)(=O)=O)cc2)C1.
What is the InChIKey of 4-[(3-methoxycyclobutyl)amino]benzenesulfonamide?
The InChIKey is XTPLMJJNIPPVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-16-10-6-9(7-10)13-8-2-4-11(5-3-8)17(12,14)15/h2-5,9-10,13H,6-7H2,1H3,(H2,12,14,15).
What are the key properties of 4-[(3-methoxycyclobutyl)amino]benzenesulfonamide?
4-[(3-methoxycyclobutyl)amino]benzenesulfonamide has a molecular weight of 256.33 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methoxycyclobutyl)amino]benzenesulfonamide is sourced from PubChem (CID 106821257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).