4-bromo-2-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide

C12H15BrClNO3S — CID 114631524

IUPAC4-bromo-2-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide
SMILESCC1(C)C(O)CC1NS(=O)(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C12H15BrClNO3S/c1-12(2)10(6-11(12)16)15-19(17,18)9-4-3-7(13)5-8(9)14/h3-5,10-11,15-16H,6H2,1-2H3
InChIKeySMJPPLVJPQHRBP-UHFFFAOYSA-N
MW368.68 g/mol
LogP2.54
Rot. Bonds3

About 4-bromo-2-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide

4-bromo-2-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide (PubChem CID 114631524) has the molecular formula C12H15BrClNO3S and a molecular weight of 368.68 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide
PubChem CID114631524
Molecular FormulaC12H15BrClNO3S
Molecular Weight368.68 g/mol
Exact Mass366.96
IUPAC Name4-bromo-2-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide
SMILESCC1(C)C(O)CC1NS(=O)(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C12H15BrClNO3S/c1-12(2)10(6-11(12)16)15-19(17,18)9-4-3-7(13)5-8(9)14/h3-5,10-11,15-16H,6H2,1-2H3
InChIKeySMJPPLVJPQHRBP-UHFFFAOYSA-N
XLogP2.54
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.68
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-chloro-N-(2,2-dimethylcyclohexyl)benzenesulfonamide
CID 79872495
2-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide
CID 114631512
3-amino-2-bromo-5-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide
CID 114628401
5-amino-2-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide
CID 114628382
2,6-dichloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide
CID 114631595
4-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methylbenzenesulfonamide
CID 114628487
4-amino-2,6-dichloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide
CID 114628394
N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methylbenzenesulfonamide
CID 114631542
4-bromo-2-chloro-N-cyclopent-3-en-1-ylbenzenesulfonamide
CID 115695674
N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methyl-4-nitrobenzenesulfonamide
CID 114631548
3-amino-5-chloro-2-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide
CID 103052244
N-(azetidin-3-yl)-4-bromo-2-chlorobenzenesulfonamide
CID 66186086

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide?
The IUPAC name of 4-bromo-2-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide (CID 114631524) is 4-bromo-2-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide is CC1(C)C(O)CC1NS(=O)(=O)c1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide?
The InChIKey is SMJPPLVJPQHRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClNO3S/c1-12(2)10(6-11(12)16)15-19(17,18)9-4-3-7(13)5-8(9)14/h3-5,10-11,15-16H,6H2,1-2H3.
What are the key properties of 4-bromo-2-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide?
4-bromo-2-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide has a molecular weight of 368.68 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide is sourced from PubChem (CID 114631524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).