N-benzyl-5-bromo-2-methoxy-N-quinolin-3-ylbenzenesulfonamide

C23H19BrN2O3S — CID 56684284

IUPACN-benzyl-5-bromo-2-methoxy-N-quinolin-3-ylbenzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)N(Cc1ccccc1)c1cnc2ccccc2c1
InChIInChI=1S/C23H19BrN2O3S/c1-29-22-12-11-19(24)14-23(22)30(27,28)26(16-17-7-3-2-4-8-17)20-13-18-9-5-6-10-21(18)25-15-20/h2-15H,16H2,1H3
InChIKeyCDLZHGYIRRTXLO-UHFFFAOYSA-N
MW483.39 g/mol
LogP5.40
Rot. Bonds6

About N-benzyl-5-bromo-2-methoxy-N-quinolin-3-ylbenzenesulfonamide

N-benzyl-5-bromo-2-methoxy-N-quinolin-3-ylbenzenesulfonamide (PubChem CID 56684284) has the molecular formula C23H19BrN2O3S and a molecular weight of 483.39 g/mol. Its IUPAC name is N-benzyl-5-bromo-2-methoxy-N-quinolin-3-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-5-bromo-2-methoxy-N-quinolin-3-ylbenzenesulfonamide
PubChem CID56684284
Molecular FormulaC23H19BrN2O3S
Molecular Weight483.39 g/mol
Exact Mass482.03
IUPAC NameN-benzyl-5-bromo-2-methoxy-N-quinolin-3-ylbenzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)N(Cc1ccccc1)c1cnc2ccccc2c1
InChIInChI=1S/C23H19BrN2O3S/c1-29-22-12-11-19(24)14-23(22)30(27,28)26(16-17-7-3-2-4-8-17)20-13-18-9-5-6-10-21(18)25-15-20/h2-15H,16H2,1H3
InChIKeyCDLZHGYIRRTXLO-UHFFFAOYSA-N
XLogP5.40
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.39
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-N-benzyl-5-bromo-2-methoxybenzenesulfonamide;hydrochloride
CID 120584229
N-(1,3-benzothiazol-2-ylmethyl)-5-bromo-2-methoxy-N-methylbenzenesulfonamide
CID 27664981
5-bromo-2-methoxy-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 55352516
5-bromo-2-methoxy-N,N-dipropylbenzenesulfonamide
CID 7749525
N,N-dibenzyl-5-chloro-2-methoxybenzenesulfonamide
CID 1339272
2-(N-(5-bromo-2-methoxyphenyl)sulfonylanilino)-N-(2,5-dimethoxyphenyl)acetamide
CID 1323779
N-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 24719654
5-bromo-N-(furan-2-ylmethyl)-2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 30668627
N-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-2,5-dimethoxybenzenesulfonamide
CID 162650214
5-bromo-N-(2-hydroxyethyl)-2-methoxy-N-methylbenzenesulfonamide
CID 15590963
2-[(5-bromo-2-methoxyphenyl)sulfonyl-propan-2-ylamino]acetic acid
CID 60829123
N-benzyl-N-(4-bromophenyl)-3-methylbenzenesulfonamide
CID 46022840

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-bromo-2-methoxy-N-quinolin-3-ylbenzenesulfonamide?
The IUPAC name of N-benzyl-5-bromo-2-methoxy-N-quinolin-3-ylbenzenesulfonamide (CID 56684284) is N-benzyl-5-bromo-2-methoxy-N-quinolin-3-ylbenzenesulfonamide.
What is the SMILES notation for N-benzyl-5-bromo-2-methoxy-N-quinolin-3-ylbenzenesulfonamide?
The canonical SMILES for N-benzyl-5-bromo-2-methoxy-N-quinolin-3-ylbenzenesulfonamide is COc1ccc(Br)cc1S(=O)(=O)N(Cc1ccccc1)c1cnc2ccccc2c1.
What is the InChIKey of N-benzyl-5-bromo-2-methoxy-N-quinolin-3-ylbenzenesulfonamide?
The InChIKey is CDLZHGYIRRTXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19BrN2O3S/c1-29-22-12-11-19(24)14-23(22)30(27,28)26(16-17-7-3-2-4-8-17)20-13-18-9-5-6-10-21(18)25-15-20/h2-15H,16H2,1H3.
What are the key properties of N-benzyl-5-bromo-2-methoxy-N-quinolin-3-ylbenzenesulfonamide?
N-benzyl-5-bromo-2-methoxy-N-quinolin-3-ylbenzenesulfonamide has a molecular weight of 483.39 g/mol, XLogP of 5.40, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-bromo-2-methoxy-N-quinolin-3-ylbenzenesulfonamide is sourced from PubChem (CID 56684284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).