2-amino-5-chloro-N-(3-methoxycyclobutyl)benzenesulfonamide

C11H15ClN2O3S — CID 114118594

IUPAC2-amino-5-chloro-N-(3-methoxycyclobutyl)benzenesulfonamide
SMILESCOC1CC(NS(=O)(=O)c2cc(Cl)ccc2N)C1
InChIInChI=1S/C11H15ClN2O3S/c1-17-9-5-8(6-9)14-18(15,16)11-4-7(12)2-3-10(11)13/h2-4,8-9,14H,5-6,13H2,1H3
InChIKeySWYNIVNTAONANM-UHFFFAOYSA-N
MW290.77 g/mol
LogP1.38
Rot. Bonds4

About 2-amino-5-chloro-N-(3-methoxycyclobutyl)benzenesulfonamide

2-amino-5-chloro-N-(3-methoxycyclobutyl)benzenesulfonamide (PubChem CID 114118594) has the molecular formula C11H15ClN2O3S and a molecular weight of 290.77 g/mol. Its IUPAC name is 2-amino-5-chloro-N-(3-methoxycyclobutyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-chloro-N-(3-methoxycyclobutyl)benzenesulfonamide
PubChem CID114118594
Molecular FormulaC11H15ClN2O3S
Molecular Weight290.77 g/mol
Exact Mass290.05
IUPAC Name2-amino-5-chloro-N-(3-methoxycyclobutyl)benzenesulfonamide
SMILESCOC1CC(NS(=O)(=O)c2cc(Cl)ccc2N)C1
InChIInChI=1S/C11H15ClN2O3S/c1-17-9-5-8(6-9)14-18(15,16)11-4-7(12)2-3-10(11)13/h2-4,8-9,14H,5-6,13H2,1H3
InChIKeySWYNIVNTAONANM-UHFFFAOYSA-N
XLogP1.38
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.77
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-N-(3-methoxycyclobutyl)benzenesulfonamide?
The IUPAC name of 2-amino-5-chloro-N-(3-methoxycyclobutyl)benzenesulfonamide (CID 114118594) is 2-amino-5-chloro-N-(3-methoxycyclobutyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-5-chloro-N-(3-methoxycyclobutyl)benzenesulfonamide?
The canonical SMILES for 2-amino-5-chloro-N-(3-methoxycyclobutyl)benzenesulfonamide is COC1CC(NS(=O)(=O)c2cc(Cl)ccc2N)C1.
What is the InChIKey of 2-amino-5-chloro-N-(3-methoxycyclobutyl)benzenesulfonamide?
The InChIKey is SWYNIVNTAONANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O3S/c1-17-9-5-8(6-9)14-18(15,16)11-4-7(12)2-3-10(11)13/h2-4,8-9,14H,5-6,13H2,1H3.
What are the key properties of 2-amino-5-chloro-N-(3-methoxycyclobutyl)benzenesulfonamide?
2-amino-5-chloro-N-(3-methoxycyclobutyl)benzenesulfonamide has a molecular weight of 290.77 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-N-(3-methoxycyclobutyl)benzenesulfonamide is sourced from PubChem (CID 114118594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).