N-(2-bromo-4-propan-2-ylphenyl)-3,4-dimethoxybenzenesulfonamide

C17H20BrNO4S — CID 3797956

IUPACN-(2-bromo-4-propan-2-ylphenyl)-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(C(C)C)cc2Br)cc1OC
InChIInChI=1S/C17H20BrNO4S/c1-11(2)12-5-7-15(14(18)9-12)19-24(20,21)13-6-8-16(22-3)17(10-13)23-4/h5-11,19H,1-4H3
InChIKeyUUIJKOOMSGYBKW-UHFFFAOYSA-N
MW414.32 g/mol
LogP4.39
Rot. Bonds6

About N-(2-bromo-4-propan-2-ylphenyl)-3,4-dimethoxybenzenesulfonamide

N-(2-bromo-4-propan-2-ylphenyl)-3,4-dimethoxybenzenesulfonamide (PubChem CID 3797956) has the molecular formula C17H20BrNO4S and a molecular weight of 414.32 g/mol. Its IUPAC name is N-(2-bromo-4-propan-2-ylphenyl)-3,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2-bromo-4-propan-2-ylphenyl)-3,4-dimethoxybenzenesulfonamide
PubChem CID3797956
Molecular FormulaC17H20BrNO4S
Molecular Weight414.32 g/mol
Exact Mass413.03
IUPAC NameN-(2-bromo-4-propan-2-ylphenyl)-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(C(C)C)cc2Br)cc1OC
InChIInChI=1S/C17H20BrNO4S/c1-11(2)12-5-7-15(14(18)9-12)19-24(20,21)13-6-8-16(22-3)17(10-13)23-4/h5-11,19H,1-4H3
InChIKeyUUIJKOOMSGYBKW-UHFFFAOYSA-N
XLogP4.39
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.32
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromo-4-propan-2-ylphenyl)-3-methylbenzenesulfonamide
CID 3871398
3,4-dimethoxy-N-[1-(4-propan-2-ylphenyl)propyl]benzenesulfonamide
CID 22772279
4-acetyl-N-(2-methoxy-4-propan-2-ylphenyl)benzenesulfonamide
CID 110777599
N-[2-bromo-5-(trifluoromethyl)phenyl]-3,4-dimethoxybenzenesulfonamide
CID 3673707
3-bromo-6-[(3,4-dimethoxyphenyl)sulfonylamino]-2-methylbenzoic acid
CID 86807570
3,4-dimethoxy-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 3855211
N-(2-methoxy-4-nitrophenyl)-4-propan-2-ylbenzenesulfonamide
CID 22774306
3-bromo-N-[4-[(2R)-butan-2-yl]phenyl]-4-methoxybenzenesulfonamide
CID 2697059
N-(3,5-dimethylphenyl)-3,4-dimethoxybenzenesulfonamide
CID 4828069
4-amino-N-(2-bromophenyl)-3-methoxybenzenesulfonamide
CID 81438669
4-butan-2-yl-N-(2,4-dibromophenyl)benzenesulfonamide
CID 22773581
N-(4-chloro-2-methoxy-5-methylphenyl)-4-propan-2-ylbenzenesulfonamide
CID 30156649

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-propan-2-ylphenyl)-3,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-(2-bromo-4-propan-2-ylphenyl)-3,4-dimethoxybenzenesulfonamide (CID 3797956) is N-(2-bromo-4-propan-2-ylphenyl)-3,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-(2-bromo-4-propan-2-ylphenyl)-3,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-(2-bromo-4-propan-2-ylphenyl)-3,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(C(C)C)cc2Br)cc1OC.
What is the InChIKey of N-(2-bromo-4-propan-2-ylphenyl)-3,4-dimethoxybenzenesulfonamide?
The InChIKey is UUIJKOOMSGYBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO4S/c1-11(2)12-5-7-15(14(18)9-12)19-24(20,21)13-6-8-16(22-3)17(10-13)23-4/h5-11,19H,1-4H3.
What are the key properties of N-(2-bromo-4-propan-2-ylphenyl)-3,4-dimethoxybenzenesulfonamide?
N-(2-bromo-4-propan-2-ylphenyl)-3,4-dimethoxybenzenesulfonamide has a molecular weight of 414.32 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-propan-2-ylphenyl)-3,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 3797956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).