5-bromo-N-(3,5-difluorophenyl)-2-methoxybenzenesulfonamide

C13H10BrF2NO3S — CID 35940097

IUPAC5-bromo-N-(3,5-difluorophenyl)-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)Nc1cc(F)cc(F)c1
InChIInChI=1S/C13H10BrF2NO3S/c1-20-12-3-2-8(14)4-13(12)21(18,19)17-11-6-9(15)5-10(16)7-11/h2-7,17H,1H3
InChIKeyOLYVSNASKDBXGK-UHFFFAOYSA-N
MW378.19 g/mol
LogP3.54
Rot. Bonds4

About 5-bromo-N-(3,5-difluorophenyl)-2-methoxybenzenesulfonamide

5-bromo-N-(3,5-difluorophenyl)-2-methoxybenzenesulfonamide (PubChem CID 35940097) has the molecular formula C13H10BrF2NO3S and a molecular weight of 378.19 g/mol. Its IUPAC name is 5-bromo-N-(3,5-difluorophenyl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-N-(3,5-difluorophenyl)-2-methoxybenzenesulfonamide
PubChem CID35940097
Molecular FormulaC13H10BrF2NO3S
Molecular Weight378.19 g/mol
Exact Mass376.95
IUPAC Name5-bromo-N-(3,5-difluorophenyl)-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)Nc1cc(F)cc(F)c1
InChIInChI=1S/C13H10BrF2NO3S/c1-20-12-3-2-8(14)4-13(12)21(18,19)17-11-6-9(15)5-10(16)7-11/h2-7,17H,1H3
InChIKeyOLYVSNASKDBXGK-UHFFFAOYSA-N
XLogP3.54
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.19
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-methoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 26970310
5-bromo-2-methoxy-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 78955910
5-bromo-2-methoxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide
CID 3866014
N-(5-amino-2-fluorophenyl)-5-bromo-2-methoxybenzenesulfonamide
CID 43604964
methyl 4-[(5-bromo-2-methoxyphenyl)sulfonylamino]-2-methoxybenzoate
CID 25045124
5-bromo-N-(6-chloro-3-pyridinyl)-2-methoxybenzenesulfonamide
CID 78931983
5-bromo-N-(3-ethylphenyl)-2-methoxybenzenesulfonamide
CID 26979755
5-bromo-N-(6-fluoro-2-pyridinyl)-2-methoxybenzenesulfonamide
CID 104821613
5-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-methoxybenzenesulfonamide
CID 3712259
N-[4-[(5-bromo-2-methoxyphenyl)sulfonylamino]phenyl]-2-methylpropanamide
CID 26965710
N-(2-aminophenyl)-5-bromo-2-methoxybenzenesulfonamide
CID 43605604
5-bromo-2-methyl-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide
CID 8512676

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3,5-difluorophenyl)-2-methoxybenzenesulfonamide?
The IUPAC name of 5-bromo-N-(3,5-difluorophenyl)-2-methoxybenzenesulfonamide (CID 35940097) is 5-bromo-N-(3,5-difluorophenyl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-bromo-N-(3,5-difluorophenyl)-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-bromo-N-(3,5-difluorophenyl)-2-methoxybenzenesulfonamide is COc1ccc(Br)cc1S(=O)(=O)Nc1cc(F)cc(F)c1.
What is the InChIKey of 5-bromo-N-(3,5-difluorophenyl)-2-methoxybenzenesulfonamide?
The InChIKey is OLYVSNASKDBXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrF2NO3S/c1-20-12-3-2-8(14)4-13(12)21(18,19)17-11-6-9(15)5-10(16)7-11/h2-7,17H,1H3.
What are the key properties of 5-bromo-N-(3,5-difluorophenyl)-2-methoxybenzenesulfonamide?
5-bromo-N-(3,5-difluorophenyl)-2-methoxybenzenesulfonamide has a molecular weight of 378.19 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3,5-difluorophenyl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 35940097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).