5-bromo-2-methoxy-N-[phenyl(pyridin-4-yl)methyl]benzenesulfonamide

C19H17BrN2O3S — CID 112771144

IUPAC5-bromo-2-methoxy-N-[phenyl(pyridin-4-yl)methyl]benzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)NC(c1ccccc1)c1ccncc1
InChIInChI=1S/C19H17BrN2O3S/c1-25-17-8-7-16(20)13-18(17)26(23,24)22-19(14-5-3-2-4-6-14)15-9-11-21-12-10-15/h2-13,19,22H,1H3
InChIKeyYXRXGBIDRXHSCF-UHFFFAOYSA-N
MW433.33 g/mol
LogP3.92
Rot. Bonds6

About 5-bromo-2-methoxy-N-[phenyl(pyridin-4-yl)methyl]benzenesulfonamide

5-bromo-2-methoxy-N-[phenyl(pyridin-4-yl)methyl]benzenesulfonamide (PubChem CID 112771144) has the molecular formula C19H17BrN2O3S and a molecular weight of 433.33 g/mol. Its IUPAC name is 5-bromo-2-methoxy-N-[phenyl(pyridin-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-methoxy-N-[phenyl(pyridin-4-yl)methyl]benzenesulfonamide
PubChem CID112771144
Molecular FormulaC19H17BrN2O3S
Molecular Weight433.33 g/mol
Exact Mass432.01
IUPAC Name5-bromo-2-methoxy-N-[phenyl(pyridin-4-yl)methyl]benzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)NC(c1ccccc1)c1ccncc1
InChIInChI=1S/C19H17BrN2O3S/c1-25-17-8-7-16(20)13-18(17)26(23,24)22-19(14-5-3-2-4-6-14)15-9-11-21-12-10-15/h2-13,19,22H,1H3
InChIKeyYXRXGBIDRXHSCF-UHFFFAOYSA-N
XLogP3.92
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.33
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzhydryl-5-bromo-2-ethoxybenzenesulfonamide
CID 2386375
3-[(5-bromo-2-methoxyphenyl)sulfonylamino]-3-phenylpropanoic acid
CID 45439126
5-bromo-N-[1-(3,4-dimethoxyphenyl)propyl]-2-methoxybenzenesulfonamide
CID 133199778
N-benzhydryl-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 100668632
5-chloro-2-methoxy-N-[(3-methylphenyl)-phenylmethyl]benzenesulfonamide
CID 133224794
N-benzhydryl-3-methoxy-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 100760048
(2R)-2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-3-phenylpropanoate
CID 9115177
5-bromo-N-[1-(4-fluorophenyl)ethyl]-2-methoxybenzenesulfonamide
CID 78665680
2-methoxy-N-[phenyl(pyridin-2-yl)methyl]benzenesulfonamide
CID 51169894
5-bromo-N-[1-(4-tert-butylphenyl)ethyl]-2-methoxybenzenesulfonamide
CID 133199241
5-bromo-2-methoxy-N-[(2S)-pentan-2-yl]benzenesulfonamide
CID 92510421
5-bromo-N-[(1S)-1-cyclopropylethyl]-2-methoxybenzenesulfonamide
CID 8817191

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-N-[phenyl(pyridin-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 5-bromo-2-methoxy-N-[phenyl(pyridin-4-yl)methyl]benzenesulfonamide (CID 112771144) is 5-bromo-2-methoxy-N-[phenyl(pyridin-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 5-bromo-2-methoxy-N-[phenyl(pyridin-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 5-bromo-2-methoxy-N-[phenyl(pyridin-4-yl)methyl]benzenesulfonamide is COc1ccc(Br)cc1S(=O)(=O)NC(c1ccccc1)c1ccncc1.
What is the InChIKey of 5-bromo-2-methoxy-N-[phenyl(pyridin-4-yl)methyl]benzenesulfonamide?
The InChIKey is YXRXGBIDRXHSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN2O3S/c1-25-17-8-7-16(20)13-18(17)26(23,24)22-19(14-5-3-2-4-6-14)15-9-11-21-12-10-15/h2-13,19,22H,1H3.
What are the key properties of 5-bromo-2-methoxy-N-[phenyl(pyridin-4-yl)methyl]benzenesulfonamide?
5-bromo-2-methoxy-N-[phenyl(pyridin-4-yl)methyl]benzenesulfonamide has a molecular weight of 433.33 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methoxy-N-[phenyl(pyridin-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 112771144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).