4-amino-2-chloro-N-(3-methylcyclobutyl)benzenesulfonamide

C11H15ClN2O2S — CID 113467087

IUPAC4-amino-2-chloro-N-(3-methylcyclobutyl)benzenesulfonamide
SMILESCC1CC(NS(=O)(=O)c2ccc(N)cc2Cl)C1
InChIInChI=1S/C11H15ClN2O2S/c1-7-4-9(5-7)14-17(15,16)11-3-2-8(13)6-10(11)12/h2-3,6-7,9,14H,4-5,13H2,1H3
InChIKeyJOCJIHIXCCINJM-UHFFFAOYSA-N
MW274.77 g/mol
LogP2.00
Rot. Bonds3

About 4-amino-2-chloro-N-(3-methylcyclobutyl)benzenesulfonamide

4-amino-2-chloro-N-(3-methylcyclobutyl)benzenesulfonamide (PubChem CID 113467087) has the molecular formula C11H15ClN2O2S and a molecular weight of 274.77 g/mol. Its IUPAC name is 4-amino-2-chloro-N-(3-methylcyclobutyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-chloro-N-(3-methylcyclobutyl)benzenesulfonamide
PubChem CID113467087
Molecular FormulaC11H15ClN2O2S
Molecular Weight274.77 g/mol
Exact Mass274.05
IUPAC Name4-amino-2-chloro-N-(3-methylcyclobutyl)benzenesulfonamide
SMILESCC1CC(NS(=O)(=O)c2ccc(N)cc2Cl)C1
InChIInChI=1S/C11H15ClN2O2S/c1-7-4-9(5-7)14-17(15,16)11-3-2-8(13)6-10(11)12/h2-3,6-7,9,14H,4-5,13H2,1H3
InChIKeyJOCJIHIXCCINJM-UHFFFAOYSA-N
XLogP2.00
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.77
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(3,5-dimethylcyclohexyl)-2-methylbenzenesulfonamide
CID 64732456
4-amino-N-(3,5-dimethylcyclohexyl)-2-fluorobenzenesulfonamide
CID 64732843
4-amino-2-chloro-N-cyclopent-3-en-1-ylbenzenesulfonamide
CID 113474918
5-amino-3-chloro-2-fluoro-N-(3-methylcyclobutyl)benzenesulfonamide
CID 113467079
4-amino-2-chloro-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 43373446
5-amino-2-chloro-N-(3,4-dimethylcyclohexyl)benzenesulfonamide
CID 64740102
3-amino-2,4-dimethyl-N-(3-methylcyclobutyl)benzenesulfonamide
CID 114240440
3-amino-N-(3,5-dimethylcyclohexyl)-2,5-dimethylbenzenesulfonamide
CID 79885079
4-amino-2-chloro-N-(2,2-dimethylcyclohexyl)benzenesulfonamide
CID 79861627
4-amino-2-chloro-N',N'-dimethylbenzenesulfonohydrazide
CID 83012665
4-amino-2,6-dibromo-N-(3,5-dimethylcyclohexyl)benzenesulfonamide
CID 64733233
4-amino-2-chloro-N-(2,6-dichlorophenyl)benzenesulfonamide
CID 65470012

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-(3-methylcyclobutyl)benzenesulfonamide?
The IUPAC name of 4-amino-2-chloro-N-(3-methylcyclobutyl)benzenesulfonamide (CID 113467087) is 4-amino-2-chloro-N-(3-methylcyclobutyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2-chloro-N-(3-methylcyclobutyl)benzenesulfonamide?
The canonical SMILES for 4-amino-2-chloro-N-(3-methylcyclobutyl)benzenesulfonamide is CC1CC(NS(=O)(=O)c2ccc(N)cc2Cl)C1.
What is the InChIKey of 4-amino-2-chloro-N-(3-methylcyclobutyl)benzenesulfonamide?
The InChIKey is JOCJIHIXCCINJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2S/c1-7-4-9(5-7)14-17(15,16)11-3-2-8(13)6-10(11)12/h2-3,6-7,9,14H,4-5,13H2,1H3.
What are the key properties of 4-amino-2-chloro-N-(3-methylcyclobutyl)benzenesulfonamide?
4-amino-2-chloro-N-(3-methylcyclobutyl)benzenesulfonamide has a molecular weight of 274.77 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-chloro-N-(3-methylcyclobutyl)benzenesulfonamide is sourced from PubChem (CID 113467087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).