2-amino-4,6-dichloro-N-(1-methylcyclobutyl)benzenesulfonamide

C11H14Cl2N2O2S — CID 113485252

IUPAC2-amino-4,6-dichloro-N-(1-methylcyclobutyl)benzenesulfonamide
SMILESCC1(NS(=O)(=O)c2c(N)cc(Cl)cc2Cl)CCC1
InChIInChI=1S/C11H14Cl2N2O2S/c1-11(3-2-4-11)15-18(16,17)10-8(13)5-7(12)6-9(10)14/h5-6,15H,2-4,14H2,1H3
InChIKeySMDRBKQYSAIPSY-UHFFFAOYSA-N
MW309.22 g/mol
LogP2.80
Rot. Bonds3

About 2-amino-4,6-dichloro-N-(1-methylcyclobutyl)benzenesulfonamide

2-amino-4,6-dichloro-N-(1-methylcyclobutyl)benzenesulfonamide (PubChem CID 113485252) has the molecular formula C11H14Cl2N2O2S and a molecular weight of 309.22 g/mol. Its IUPAC name is 2-amino-4,6-dichloro-N-(1-methylcyclobutyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4,6-dichloro-N-(1-methylcyclobutyl)benzenesulfonamide
PubChem CID113485252
Molecular FormulaC11H14Cl2N2O2S
Molecular Weight309.22 g/mol
Exact Mass308.02
IUPAC Name2-amino-4,6-dichloro-N-(1-methylcyclobutyl)benzenesulfonamide
SMILESCC1(NS(=O)(=O)c2c(N)cc(Cl)cc2Cl)CCC1
InChIInChI=1S/C11H14Cl2N2O2S/c1-11(3-2-4-11)15-18(16,17)10-8(13)5-7(12)6-9(10)14/h5-6,15H,2-4,14H2,1H3
InChIKeySMDRBKQYSAIPSY-UHFFFAOYSA-N
XLogP2.80
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.22
LogP ≤ 52.80
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

3-amino-2-bromo-5-chloro-N-(1-methylcyclobutyl)benzenesulfonamide
CID 113485255
2-amino-4,6-dichloro-N-[[1-(dimethylamino)cyclobutyl]methyl]benzenesulfonamide
CID 105413574
2-amino-4-methyl-N-(1-methylcyclobutyl)benzenesulfonamide
CID 113485273
2-amino-4,6-dichloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide
CID 114628509
2-amino-6-fluoro-N-(1-methylcyclobutyl)benzenesulfonamide
CID 113485262
5-amino-2-fluoro-N-(1-methylcyclobutyl)benzenesulfonamide
CID 113485258
2-amino-4,6-dichloro-N-prop-2-ynylbenzenesulfonamide
CID 61111383
2-amino-4,6-dichloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzenesulfonamide
CID 114755747
2-amino-4,6-dichloro-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 61127039
2-amino-4,6-dichloro-N-(1,1-dioxothian-3-yl)benzenesulfonamide
CID 63921899
3-amino-2,5-diethyl-N-(1-methylcyclobutyl)benzenesulfonamide
CID 107406972
2-amino-4,6-dichloro-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106327833

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,6-dichloro-N-(1-methylcyclobutyl)benzenesulfonamide?
The IUPAC name of 2-amino-4,6-dichloro-N-(1-methylcyclobutyl)benzenesulfonamide (CID 113485252) is 2-amino-4,6-dichloro-N-(1-methylcyclobutyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4,6-dichloro-N-(1-methylcyclobutyl)benzenesulfonamide?
The canonical SMILES for 2-amino-4,6-dichloro-N-(1-methylcyclobutyl)benzenesulfonamide is CC1(NS(=O)(=O)c2c(N)cc(Cl)cc2Cl)CCC1.
What is the InChIKey of 2-amino-4,6-dichloro-N-(1-methylcyclobutyl)benzenesulfonamide?
The InChIKey is SMDRBKQYSAIPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O2S/c1-11(3-2-4-11)15-18(16,17)10-8(13)5-7(12)6-9(10)14/h5-6,15H,2-4,14H2,1H3.
What are the key properties of 2-amino-4,6-dichloro-N-(1-methylcyclobutyl)benzenesulfonamide?
2-amino-4,6-dichloro-N-(1-methylcyclobutyl)benzenesulfonamide has a molecular weight of 309.22 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,6-dichloro-N-(1-methylcyclobutyl)benzenesulfonamide is sourced from PubChem (CID 113485252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).