N-(3-bromo-4-methylphenyl)-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide

C17H20BrNO4S — CID 55638935

IUPACN-(3-bromo-4-methylphenyl)-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide
SMILESCOCCOc1ccc(S(=O)(=O)Nc2ccc(C)c(Br)c2)cc1C
InChIInChI=1S/C17H20BrNO4S/c1-12-4-5-14(11-16(12)18)19-24(20,21)15-6-7-17(13(2)10-15)23-9-8-22-3/h4-7,10-11,19H,8-9H2,1-3H3
InChIKeyMVDBCJZKQTXIRF-UHFFFAOYSA-N
MW414.32 g/mol
LogP3.89
Rot. Bonds7

About N-(3-bromo-4-methylphenyl)-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide

N-(3-bromo-4-methylphenyl)-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide (PubChem CID 55638935) has the molecular formula C17H20BrNO4S and a molecular weight of 414.32 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide
PubChem CID55638935
Molecular FormulaC17H20BrNO4S
Molecular Weight414.32 g/mol
Exact Mass413.03
IUPAC NameN-(3-bromo-4-methylphenyl)-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide
SMILESCOCCOc1ccc(S(=O)(=O)Nc2ccc(C)c(Br)c2)cc1C
InChIInChI=1S/C17H20BrNO4S/c1-12-4-5-14(11-16(12)18)19-24(20,21)15-6-7-17(13(2)10-15)23-9-8-22-3/h4-7,10-11,19H,8-9H2,1-3H3
InChIKeyMVDBCJZKQTXIRF-UHFFFAOYSA-N
XLogP3.89
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.32
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-bromo-4-methylphenyl)-3-chloro-4-methoxybenzenesulfonamide
CID 55676131
methyl 2-[[4-[[4-(2-methoxyethoxy)-3-methylphenyl]sulfonylamino]benzoyl]amino]acetate
CID 55638896
4-methoxy-N-[4-(2-methoxyethylamino)phenyl]-3-methylbenzenesulfonamide
CID 112980985
N-(5-chloro-2-methoxyphenyl)-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide
CID 46417535
3-bromo-N-(3-bromo-4-methylphenyl)-4-chlorobenzenesulfonamide
CID 106606067
N-(3-bromo-4-methylphenyl)-4-(methylamino)benzenesulfonamide
CID 63334960
N-[3-bromo-4-(2-methoxyethoxy)phenyl]ethanesulfonamide
CID 166594055
methyl 2-[[4-(2-methoxyethoxy)-3-methylphenyl]sulfonylamino]-5-methylbenzoate
CID 47063153
N-(3,5-dimethylphenyl)-4-ethoxy-3-methylbenzenesulfonamide
CID 3265391
N-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)phenyl]-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide
CID 46417448
3-bromo-N-(3-bromo-4-methylphenyl)benzenesulfonamide
CID 3708859
N-(3-amino-4-methylphenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 39439923

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide?
The IUPAC name of N-(3-bromo-4-methylphenyl)-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide (CID 55638935) is N-(3-bromo-4-methylphenyl)-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide is COCCOc1ccc(S(=O)(=O)Nc2ccc(C)c(Br)c2)cc1C.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide?
The InChIKey is MVDBCJZKQTXIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO4S/c1-12-4-5-14(11-16(12)18)19-24(20,21)15-6-7-17(13(2)10-15)23-9-8-22-3/h4-7,10-11,19H,8-9H2,1-3H3.
What are the key properties of N-(3-bromo-4-methylphenyl)-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide?
N-(3-bromo-4-methylphenyl)-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide has a molecular weight of 414.32 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methylphenyl)-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide is sourced from PubChem (CID 55638935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).