5-bromo-2-methoxy-N-(3-methoxy-2,2-dimethylcyclobutyl)benzenesulfonamide

C14H20BrNO4S — CID 103743726

IUPAC5-bromo-2-methoxy-N-(3-methoxy-2,2-dimethylcyclobutyl)benzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)NC1CC(OC)C1(C)C
InChIInChI=1S/C14H20BrNO4S/c1-14(2)12(8-13(14)20-4)16-21(17,18)11-7-9(15)5-6-10(11)19-3/h5-7,12-13,16H,8H2,1-4H3
InChIKeyHTSACMYAMSCWJL-UHFFFAOYSA-N
MW378.29 g/mol
LogP2.55
Rot. Bonds5

About 5-bromo-2-methoxy-N-(3-methoxy-2,2-dimethylcyclobutyl)benzenesulfonamide

5-bromo-2-methoxy-N-(3-methoxy-2,2-dimethylcyclobutyl)benzenesulfonamide (PubChem CID 103743726) has the molecular formula C14H20BrNO4S and a molecular weight of 378.29 g/mol. Its IUPAC name is 5-bromo-2-methoxy-N-(3-methoxy-2,2-dimethylcyclobutyl)benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-methoxy-N-(3-methoxy-2,2-dimethylcyclobutyl)benzenesulfonamide
PubChem CID103743726
Molecular FormulaC14H20BrNO4S
Molecular Weight378.29 g/mol
Exact Mass377.03
IUPAC Name5-bromo-2-methoxy-N-(3-methoxy-2,2-dimethylcyclobutyl)benzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)NC1CC(OC)C1(C)C
InChIInChI=1S/C14H20BrNO4S/c1-14(2)12(8-13(14)20-4)16-21(17,18)11-7-9(15)5-6-10(11)19-3/h5-7,12-13,16H,8H2,1-4H3
InChIKeyHTSACMYAMSCWJL-UHFFFAOYSA-N
XLogP2.55
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.29
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-methoxy-N-(3-methylcyclobutyl)benzenesulfonamide
CID 113248092
N-(3-hydroxy-2,2-dimethylcyclobutyl)-2,5-dimethoxybenzenesulfonamide
CID 114631523
N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methoxy-5-methylbenzenesulfonamide
CID 114631537
N-(2-aminocyclohexyl)-5-bromo-2-methoxybenzenesulfonamide
CID 61038243
5-bromo-N-(2,3-dihydro-1H-inden-2-yl)-2-methoxybenzenesulfonamide
CID 3314811
5-bromo-2-methoxy-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzenesulfonamide
CID 80602276
4-[(5-bromo-2-methoxyphenyl)sulfonylamino]cyclopent-2-ene-1-carboxylic acid
CID 79191150
4-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)benzenesulfonamide
CID 104600117
5-bromo-2-methoxy-N-(2-oxothiolan-3-yl)benzenesulfonamide
CID 25040467
1-(5-bromo-2-methoxyphenyl)sulfonylbicyclo[1.1.1]pentane
CID 165437914
5-bromo-2-methoxy-N-[(4R)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]benzenesulfonamide
CID 100584043
5-bromo-2-methoxy-N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)benzenesulfonamide
CID 133178491

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-N-(3-methoxy-2,2-dimethylcyclobutyl)benzenesulfonamide?
The IUPAC name of 5-bromo-2-methoxy-N-(3-methoxy-2,2-dimethylcyclobutyl)benzenesulfonamide (CID 103743726) is 5-bromo-2-methoxy-N-(3-methoxy-2,2-dimethylcyclobutyl)benzenesulfonamide.
What is the SMILES notation for 5-bromo-2-methoxy-N-(3-methoxy-2,2-dimethylcyclobutyl)benzenesulfonamide?
The canonical SMILES for 5-bromo-2-methoxy-N-(3-methoxy-2,2-dimethylcyclobutyl)benzenesulfonamide is COc1ccc(Br)cc1S(=O)(=O)NC1CC(OC)C1(C)C.
What is the InChIKey of 5-bromo-2-methoxy-N-(3-methoxy-2,2-dimethylcyclobutyl)benzenesulfonamide?
The InChIKey is HTSACMYAMSCWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO4S/c1-14(2)12(8-13(14)20-4)16-21(17,18)11-7-9(15)5-6-10(11)19-3/h5-7,12-13,16H,8H2,1-4H3.
What are the key properties of 5-bromo-2-methoxy-N-(3-methoxy-2,2-dimethylcyclobutyl)benzenesulfonamide?
5-bromo-2-methoxy-N-(3-methoxy-2,2-dimethylcyclobutyl)benzenesulfonamide has a molecular weight of 378.29 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methoxy-N-(3-methoxy-2,2-dimethylcyclobutyl)benzenesulfonamide is sourced from PubChem (CID 103743726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).