5-bromo-2-methoxy-N-(3-methylcyclobutyl)benzenesulfonamide

C12H16BrNO3S — CID 113248092

IUPAC5-bromo-2-methoxy-N-(3-methylcyclobutyl)benzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)NC1CC(C)C1
InChIInChI=1S/C12H16BrNO3S/c1-8-5-10(6-8)14-18(15,16)12-7-9(13)3-4-11(12)17-2/h3-4,7-8,10,14H,5-6H2,1-2H3
InChIKeyYQUIFDKUYSPXNO-UHFFFAOYSA-N
MW334.24 g/mol
LogP2.53
Rot. Bonds4

About 5-bromo-2-methoxy-N-(3-methylcyclobutyl)benzenesulfonamide

5-bromo-2-methoxy-N-(3-methylcyclobutyl)benzenesulfonamide (PubChem CID 113248092) has the molecular formula C12H16BrNO3S and a molecular weight of 334.24 g/mol. Its IUPAC name is 5-bromo-2-methoxy-N-(3-methylcyclobutyl)benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-methoxy-N-(3-methylcyclobutyl)benzenesulfonamide
PubChem CID113248092
Molecular FormulaC12H16BrNO3S
Molecular Weight334.24 g/mol
Exact Mass333.00
IUPAC Name5-bromo-2-methoxy-N-(3-methylcyclobutyl)benzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)NC1CC(C)C1
InChIInChI=1S/C12H16BrNO3S/c1-8-5-10(6-8)14-18(15,16)12-7-9(13)3-4-11(12)17-2/h3-4,7-8,10,14H,5-6H2,1-2H3
InChIKeyYQUIFDKUYSPXNO-UHFFFAOYSA-N
XLogP2.53
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.24
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-bromo-2-methoxy-N-(3-methylcyclobutyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-N-(2,3-dihydro-1H-inden-2-yl)-2-methoxybenzenesulfonamide
CID 3314811
5-bromo-2-methoxy-N-(3-methoxy-2,2-dimethylcyclobutyl)benzenesulfonamide
CID 103743726
N-(2-aminocyclohexyl)-5-bromo-2-methoxybenzenesulfonamide
CID 61038243
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
2,5-dibromo-N-(3-methoxycyclobutyl)benzenesulfonamide
CID 113431371
5-bromo-2-methoxy-N-(2-oxothiolan-3-yl)benzenesulfonamide
CID 25040467
2,5-dimethoxy-N-(4-methylcyclohexyl)benzenesulfonamide
CID 17377849
5-bromo-2-methoxy-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide
CID 3859301
3-amino-N-(3,5-dimethylcyclohexyl)-4-methoxybenzenesulfonamide
CID 64734598
5-bromo-N-[(1S)-1-cyclopropylethyl]-2-methoxybenzenesulfonamide
CID 8817191
trans-(1S,2S)-2-[(5-bromo-2-methoxyphenyl)sulfonylamino]cyclohexane-1-carboxamide
CID 95789130

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-N-(3-methylcyclobutyl)benzenesulfonamide?
The IUPAC name of 5-bromo-2-methoxy-N-(3-methylcyclobutyl)benzenesulfonamide (CID 113248092) is 5-bromo-2-methoxy-N-(3-methylcyclobutyl)benzenesulfonamide.
What is the SMILES notation for 5-bromo-2-methoxy-N-(3-methylcyclobutyl)benzenesulfonamide?
The canonical SMILES for 5-bromo-2-methoxy-N-(3-methylcyclobutyl)benzenesulfonamide is COc1ccc(Br)cc1S(=O)(=O)NC1CC(C)C1.
What is the InChIKey of 5-bromo-2-methoxy-N-(3-methylcyclobutyl)benzenesulfonamide?
The InChIKey is YQUIFDKUYSPXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO3S/c1-8-5-10(6-8)14-18(15,16)12-7-9(13)3-4-11(12)17-2/h3-4,7-8,10,14H,5-6H2,1-2H3.
What are the key properties of 5-bromo-2-methoxy-N-(3-methylcyclobutyl)benzenesulfonamide?
5-bromo-2-methoxy-N-(3-methylcyclobutyl)benzenesulfonamide has a molecular weight of 334.24 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methoxy-N-(3-methylcyclobutyl)benzenesulfonamide is sourced from PubChem (CID 113248092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).