2,6-dichloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide

C12H15Cl2NO3S — CID 114631595

IUPAC2,6-dichloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide
SMILESCC1(C)C(O)CC1NS(=O)(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C12H15Cl2NO3S/c1-12(2)9(6-10(12)16)15-19(17,18)11-7(13)4-3-5-8(11)14/h3-5,9-10,15-16H,6H2,1-2H3
InChIKeyBXNBQHWDBVAISZ-UHFFFAOYSA-N
MW324.23 g/mol
LogP2.43
Rot. Bonds3

About 2,6-dichloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide

2,6-dichloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide (PubChem CID 114631595) has the molecular formula C12H15Cl2NO3S and a molecular weight of 324.23 g/mol. Its IUPAC name is 2,6-dichloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide.

Molecular Properties

Compound Name2,6-dichloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide
PubChem CID114631595
Molecular FormulaC12H15Cl2NO3S
Molecular Weight324.23 g/mol
Exact Mass323.01
IUPAC Name2,6-dichloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide
SMILESCC1(C)C(O)CC1NS(=O)(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C12H15Cl2NO3S/c1-12(2)9(6-10(12)16)15-19(17,18)11-7(13)4-3-5-8(11)14/h3-5,9-10,15-16H,6H2,1-2H3
InChIKeyBXNBQHWDBVAISZ-UHFFFAOYSA-N
XLogP2.43
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.23
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-fluoro-N-[(2R)-1-hydroxy-5,5-dimethylhexan-2-yl]benzenesulfonamide
CID 173116143
2-chloro-4-fluoro-N-(3-hydroxycyclobutyl)benzenesulfonamide
CID 65973397
2-chloro-5-fluoro-N-(3-methoxy-2,2,4-trimethylcyclobutyl)benzenesulfonamide
CID 75444520
2-Chloro-4-fluoro-N-[1-(3-hydroxycyclobutyl)propyl]benzenesulfonamide
CID 91778403
2-chloro-4-fluoro-N-[(1R)-1-(3-hydroxycyclobutyl)propyl]benzenesulfonamide
CID 100057924
2-chloro-4-fluoro-N-[(1S)-1-(3-hydroxycyclobutyl)propyl]benzenesulfonamide
CID 100057926
2,4-dichloro-3-fluoro-N-(3-hydroxycyclobutyl)benzenesulfonamide
CID 103088593
2,4-dichloro-3-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide
CID 103088595
2,4-dichloro-3-fluoro-N-(4-hydroxypentan-2-yl)benzenesulfonamide
CID 103088655
2,4-dichloro-3-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide
CID 103088698
2,4-dichloro-3-fluoro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzenesulfonamide
CID 103270076
2,4-dichloro-3-fluoro-N-(2-hydroxy-4,4-dimethylpentyl)benzenesulfonamide
CID 103270092

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide?
The IUPAC name of 2,6-dichloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide (CID 114631595) is 2,6-dichloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide.
What is the SMILES notation for 2,6-dichloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide?
The canonical SMILES for 2,6-dichloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide is CC1(C)C(O)CC1NS(=O)(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide?
The InChIKey is BXNBQHWDBVAISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO3S/c1-12(2)9(6-10(12)16)15-19(17,18)11-7(13)4-3-5-8(11)14/h3-5,9-10,15-16H,6H2,1-2H3.
What are the key properties of 2,6-dichloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide?
2,6-dichloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide has a molecular weight of 324.23 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide is sourced from PubChem (CID 114631595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).