4-[(5-bromo-2-methoxyphenyl)methylamino]benzenesulfonamide

C14H15BrN2O3S — CID 1017676

IUPAC4-[(5-bromo-2-methoxyphenyl)methylamino]benzenesulfonamide
SMILESCOc1ccc(Br)cc1CNc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H15BrN2O3S/c1-20-14-7-2-11(15)8-10(14)9-17-12-3-5-13(6-4-12)21(16,18)19/h2-8,17H,9H2,1H3,(H2,16,18,19)
InChIKeyDCJSCWFSJURXJC-UHFFFAOYSA-N
MW371.26 g/mol
LogP2.72
Rot. Bonds5

About 4-[(5-bromo-2-methoxyphenyl)methylamino]benzenesulfonamide

4-[(5-bromo-2-methoxyphenyl)methylamino]benzenesulfonamide (PubChem CID 1017676) has the molecular formula C14H15BrN2O3S and a molecular weight of 371.26 g/mol. Its IUPAC name is 4-[(5-bromo-2-methoxyphenyl)methylamino]benzenesulfonamide.

Molecular Properties

Compound Name4-[(5-bromo-2-methoxyphenyl)methylamino]benzenesulfonamide
PubChem CID1017676
Molecular FormulaC14H15BrN2O3S
Molecular Weight371.26 g/mol
Exact Mass370.00
IUPAC Name4-[(5-bromo-2-methoxyphenyl)methylamino]benzenesulfonamide
SMILESCOc1ccc(Br)cc1CNc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H15BrN2O3S/c1-20-14-7-2-11(15)8-10(14)9-17-12-3-5-13(6-4-12)21(16,18)19/h2-8,17H,9H2,1H3,(H2,16,18,19)
InChIKeyDCJSCWFSJURXJC-UHFFFAOYSA-N
XLogP2.72
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.26
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-2-methoxyphenyl)methylamino]benzenesulfonamide?
The IUPAC name of 4-[(5-bromo-2-methoxyphenyl)methylamino]benzenesulfonamide (CID 1017676) is 4-[(5-bromo-2-methoxyphenyl)methylamino]benzenesulfonamide.
What is the SMILES notation for 4-[(5-bromo-2-methoxyphenyl)methylamino]benzenesulfonamide?
The canonical SMILES for 4-[(5-bromo-2-methoxyphenyl)methylamino]benzenesulfonamide is COc1ccc(Br)cc1CNc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[(5-bromo-2-methoxyphenyl)methylamino]benzenesulfonamide?
The InChIKey is DCJSCWFSJURXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O3S/c1-20-14-7-2-11(15)8-10(14)9-17-12-3-5-13(6-4-12)21(16,18)19/h2-8,17H,9H2,1H3,(H2,16,18,19).
What are the key properties of 4-[(5-bromo-2-methoxyphenyl)methylamino]benzenesulfonamide?
4-[(5-bromo-2-methoxyphenyl)methylamino]benzenesulfonamide has a molecular weight of 371.26 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromo-2-methoxyphenyl)methylamino]benzenesulfonamide is sourced from PubChem (CID 1017676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).