4-(3-bromoanilino)pyridine-3-sulfonamide

C11H10BrN3O2S — CID 901993

IUPAC4-(3-bromoanilino)pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cnccc1Nc1cccc(Br)c1
InChIInChI=1S/C11H10BrN3O2S/c12-8-2-1-3-9(6-8)15-10-4-5-14-7-11(10)18(13,16)17/h1-7H,(H,14,15)(H2,13,16,17)
InChIKeyOOHNOHDMJLUMEQ-UHFFFAOYSA-N
MW328.19 g/mol
LogP2.24
Rot. Bonds3

About 4-(3-bromoanilino)pyridine-3-sulfonamide

4-(3-bromoanilino)pyridine-3-sulfonamide (PubChem CID 901993) has the molecular formula C11H10BrN3O2S and a molecular weight of 328.19 g/mol. Its IUPAC name is 4-(3-bromoanilino)pyridine-3-sulfonamide.

Molecular Properties

Compound Name4-(3-bromoanilino)pyridine-3-sulfonamide
PubChem CID901993
Molecular FormulaC11H10BrN3O2S
Molecular Weight328.19 g/mol
Exact Mass326.97
IUPAC Name4-(3-bromoanilino)pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cnccc1Nc1cccc(Br)c1
InChIInChI=1S/C11H10BrN3O2S/c12-8-2-1-3-9(6-8)15-10-4-5-14-7-11(10)18(13,16)17/h1-7H,(H,14,15)(H2,13,16,17)
InChIKeyOOHNOHDMJLUMEQ-UHFFFAOYSA-N
XLogP2.24
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.19
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromoanilino)pyridine-3-sulfonamide?
The IUPAC name of 4-(3-bromoanilino)pyridine-3-sulfonamide (CID 901993) is 4-(3-bromoanilino)pyridine-3-sulfonamide.
What is the SMILES notation for 4-(3-bromoanilino)pyridine-3-sulfonamide?
The canonical SMILES for 4-(3-bromoanilino)pyridine-3-sulfonamide is NS(=O)(=O)c1cnccc1Nc1cccc(Br)c1.
What is the InChIKey of 4-(3-bromoanilino)pyridine-3-sulfonamide?
The InChIKey is OOHNOHDMJLUMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O2S/c12-8-2-1-3-9(6-8)15-10-4-5-14-7-11(10)18(13,16)17/h1-7H,(H,14,15)(H2,13,16,17).
What are the key properties of 4-(3-bromoanilino)pyridine-3-sulfonamide?
4-(3-bromoanilino)pyridine-3-sulfonamide has a molecular weight of 328.19 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromoanilino)pyridine-3-sulfonamide is sourced from PubChem (CID 901993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).