N-benzyl-3-bromo-N-cyclopropyl-4-methoxybenzenesulfonamide

C17H18BrNO3S — CID 24663505

IUPACN-benzyl-3-bromo-N-cyclopropyl-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2ccccc2)C2CC2)cc1Br
InChIInChI=1S/C17H18BrNO3S/c1-22-17-10-9-15(11-16(17)18)23(20,21)19(14-7-8-14)12-13-5-3-2-4-6-13/h2-6,9-11,14H,7-8,12H2,1H3
InChIKeyKQCCZIKNXKDHBR-UHFFFAOYSA-N
MW396.31 g/mol
LogP3.81
Rot. Bonds6

About N-benzyl-3-bromo-N-cyclopropyl-4-methoxybenzenesulfonamide

N-benzyl-3-bromo-N-cyclopropyl-4-methoxybenzenesulfonamide (PubChem CID 24663505) has the molecular formula C17H18BrNO3S and a molecular weight of 396.31 g/mol. Its IUPAC name is N-benzyl-3-bromo-N-cyclopropyl-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-3-bromo-N-cyclopropyl-4-methoxybenzenesulfonamide
PubChem CID24663505
Molecular FormulaC17H18BrNO3S
Molecular Weight396.31 g/mol
Exact Mass395.02
IUPAC NameN-benzyl-3-bromo-N-cyclopropyl-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2ccccc2)C2CC2)cc1Br
InChIInChI=1S/C17H18BrNO3S/c1-22-17-10-9-15(11-16(17)18)23(20,21)19(14-7-8-14)12-13-5-3-2-4-6-13/h2-6,9-11,14H,7-8,12H2,1H3
InChIKeyKQCCZIKNXKDHBR-UHFFFAOYSA-N
XLogP3.81
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.31
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-cyclopropyl-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide
CID 46418348
3-bromo-N-cyclobutyl-N-(3-hydroxypropyl)-4-methoxybenzenesulfonamide
CID 102847558
3-N-benzyl-3-N-cyclopropylbenzene-1,3-disulfonamide
CID 31820934
4-bromo-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-methylbenzenesulfonamide
CID 35404500
3-bromo-N-(cyclopentylmethyl)-4-methoxy-N-methylbenzenesulfonamide
CID 47480383
2-[cyclopropyl-(3,4-dimethoxyphenyl)sulfonylamino]acetic acid
CID 60829007
3-bromo-4-methoxy-N-(2-phenylethyl)benzenesulfonamide
CID 1120509
N-cyclopropyl-4-methoxy-3-nitro-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide
CID 24511102
N-[5-[cyclopropyl-[(4-fluorophenyl)methyl]sulfamoyl]-2-methoxyphenyl]acetamide
CID 26531285
N-benzyl-N-cyclopropyl-4-(trifluoromethoxy)benzenesulfonamide
CID 24663515
3-bromo-N-[(4-chlorophenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide
CID 28956911
N-benzyl-4-bromo-N-ethyl-3-methoxybenzenesulfonamide
CID 9267358

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-bromo-N-cyclopropyl-4-methoxybenzenesulfonamide?
The IUPAC name of N-benzyl-3-bromo-N-cyclopropyl-4-methoxybenzenesulfonamide (CID 24663505) is N-benzyl-3-bromo-N-cyclopropyl-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-benzyl-3-bromo-N-cyclopropyl-4-methoxybenzenesulfonamide?
The canonical SMILES for N-benzyl-3-bromo-N-cyclopropyl-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)N(Cc2ccccc2)C2CC2)cc1Br.
What is the InChIKey of N-benzyl-3-bromo-N-cyclopropyl-4-methoxybenzenesulfonamide?
The InChIKey is KQCCZIKNXKDHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO3S/c1-22-17-10-9-15(11-16(17)18)23(20,21)19(14-7-8-14)12-13-5-3-2-4-6-13/h2-6,9-11,14H,7-8,12H2,1H3.
What are the key properties of N-benzyl-3-bromo-N-cyclopropyl-4-methoxybenzenesulfonamide?
N-benzyl-3-bromo-N-cyclopropyl-4-methoxybenzenesulfonamide has a molecular weight of 396.31 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-bromo-N-cyclopropyl-4-methoxybenzenesulfonamide is sourced from PubChem (CID 24663505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).