N-benzyl-2-bromo-N-(1-cyclopropylethyl)-4,5-dimethoxybenzenesulfonamide

C20H24BrNO4S — CID 74633975

IUPACN-benzyl-2-bromo-N-(1-cyclopropylethyl)-4,5-dimethoxybenzenesulfonamide
SMILESCOc1cc(Br)c(S(=O)(=O)N(Cc2ccccc2)C(C)C2CC2)cc1OC
InChIInChI=1S/C20H24BrNO4S/c1-14(16-9-10-16)22(13-15-7-5-4-6-8-15)27(23,24)20-12-19(26-3)18(25-2)11-17(20)21/h4-8,11-12,14,16H,9-10,13H2,1-3H3
InChIKeyREOBHPUSZUEEAG-UHFFFAOYSA-N
MW454.39 g/mol
LogP4.46
Rot. Bonds8

About N-benzyl-2-bromo-N-(1-cyclopropylethyl)-4,5-dimethoxybenzenesulfonamide

N-benzyl-2-bromo-N-(1-cyclopropylethyl)-4,5-dimethoxybenzenesulfonamide (PubChem CID 74633975) has the molecular formula C20H24BrNO4S and a molecular weight of 454.39 g/mol. Its IUPAC name is N-benzyl-2-bromo-N-(1-cyclopropylethyl)-4,5-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-2-bromo-N-(1-cyclopropylethyl)-4,5-dimethoxybenzenesulfonamide
PubChem CID74633975
Molecular FormulaC20H24BrNO4S
Molecular Weight454.39 g/mol
Exact Mass453.06
IUPAC NameN-benzyl-2-bromo-N-(1-cyclopropylethyl)-4,5-dimethoxybenzenesulfonamide
SMILESCOc1cc(Br)c(S(=O)(=O)N(Cc2ccccc2)C(C)C2CC2)cc1OC
InChIInChI=1S/C20H24BrNO4S/c1-14(16-9-10-16)22(13-15-7-5-4-6-8-15)27(23,24)20-12-19(26-3)18(25-2)11-17(20)21/h4-8,11-12,14,16H,9-10,13H2,1-3H3
InChIKeyREOBHPUSZUEEAG-UHFFFAOYSA-N
XLogP4.46
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.39
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-(1-cyclopropylethyl)-4-methoxybenzenesulfonamide
CID 4825022
methyl 3-[benzyl-[(1S)-1-cyclopropylethyl]sulfamoyl]-4-chlorobenzoate
CID 35299124
3-acetyl-N-benzyl-N-(1-cyclopropylethyl)benzenesulfonamide
CID 51169070
2-bromo-N-ethyl-4,5-dimethoxy-N-phenylbenzenesulfonamide
CID 9055831
4-[benzyl-[(1S)-1-cyclopropylethyl]sulfamoyl]benzamide
CID 51926702
N-benzyl-3-bromo-N-cyclopropyl-4-methoxybenzenesulfonamide
CID 24663505
N-benzyl-4-bromo-N-(1-cyclopropylethyl)-3-(dimethylsulfamoyl)benzamide
CID 55558311
N-benzyl-N-(1-cyclopropylethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 74614197
N-benzyl-5-(hydroxymethyl)-2-methoxy-N-propan-2-ylbenzenesulfonamide
CID 113241762
N-benzyl-N-[(3-bromo-4-methoxyphenyl)methyl]propan-2-amine
CID 60688895
2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-N-(2-methoxyphenyl)acetamide
CID 31995742
N-(1-aminopropan-2-yl)-2-bromo-4,5-dimethoxy-N-methylbenzenesulfonamide
CID 119982428

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-bromo-N-(1-cyclopropylethyl)-4,5-dimethoxybenzenesulfonamide?
The IUPAC name of N-benzyl-2-bromo-N-(1-cyclopropylethyl)-4,5-dimethoxybenzenesulfonamide (CID 74633975) is N-benzyl-2-bromo-N-(1-cyclopropylethyl)-4,5-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-benzyl-2-bromo-N-(1-cyclopropylethyl)-4,5-dimethoxybenzenesulfonamide?
The canonical SMILES for N-benzyl-2-bromo-N-(1-cyclopropylethyl)-4,5-dimethoxybenzenesulfonamide is COc1cc(Br)c(S(=O)(=O)N(Cc2ccccc2)C(C)C2CC2)cc1OC.
What is the InChIKey of N-benzyl-2-bromo-N-(1-cyclopropylethyl)-4,5-dimethoxybenzenesulfonamide?
The InChIKey is REOBHPUSZUEEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrNO4S/c1-14(16-9-10-16)22(13-15-7-5-4-6-8-15)27(23,24)20-12-19(26-3)18(25-2)11-17(20)21/h4-8,11-12,14,16H,9-10,13H2,1-3H3.
What are the key properties of N-benzyl-2-bromo-N-(1-cyclopropylethyl)-4,5-dimethoxybenzenesulfonamide?
N-benzyl-2-bromo-N-(1-cyclopropylethyl)-4,5-dimethoxybenzenesulfonamide has a molecular weight of 454.39 g/mol, XLogP of 4.46, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-bromo-N-(1-cyclopropylethyl)-4,5-dimethoxybenzenesulfonamide is sourced from PubChem (CID 74633975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).