2-bromo-4-[(5-fluoropyridine-3-carbonyl)amino]benzenesulfonyl chloride

C12H7BrClFN2O3S — CID 104785745

IUPAC2-bromo-4-[(5-fluoropyridine-3-carbonyl)amino]benzenesulfonyl chloride
SMILESO=C(Nc1ccc(S(=O)(=O)Cl)c(Br)c1)c1cncc(F)c1
InChIInChI=1S/C12H7BrClFN2O3S/c13-10-4-9(1-2-11(10)21(14,19)20)17-12(18)7-3-8(15)6-16-5-7/h1-6H,(H,17,18)
InChIKeyLFJWCURMFLSICU-UHFFFAOYSA-N
MW393.62 g/mol
LogP3.16
Rot. Bonds3

About 2-bromo-4-[(5-fluoropyridine-3-carbonyl)amino]benzenesulfonyl chloride

2-bromo-4-[(5-fluoropyridine-3-carbonyl)amino]benzenesulfonyl chloride (PubChem CID 104785745) has the molecular formula C12H7BrClFN2O3S and a molecular weight of 393.62 g/mol. Its IUPAC name is 2-bromo-4-[(5-fluoropyridine-3-carbonyl)amino]benzenesulfonyl chloride.

Molecular Properties

Compound Name2-bromo-4-[(5-fluoropyridine-3-carbonyl)amino]benzenesulfonyl chloride
PubChem CID104785745
Molecular FormulaC12H7BrClFN2O3S
Molecular Weight393.62 g/mol
Exact Mass391.90
IUPAC Name2-bromo-4-[(5-fluoropyridine-3-carbonyl)amino]benzenesulfonyl chloride
SMILESO=C(Nc1ccc(S(=O)(=O)Cl)c(Br)c1)c1cncc(F)c1
InChIInChI=1S/C12H7BrClFN2O3S/c13-10-4-9(1-2-11(10)21(14,19)20)17-12(18)7-3-8(15)6-16-5-7/h1-6H,(H,17,18)
InChIKeyLFJWCURMFLSICU-UHFFFAOYSA-N
XLogP3.16
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.62
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-3-fluorophenyl)-5-fluoropyridine-3-carboxamide
CID 115694774
N-(2-bromo-4-sulfamoylphenyl)-5-fluoropyridine-3-carboxamide
CID 104786050
N-(4-amino-3-fluorophenyl)-5-fluoropyridine-3-carboxamide
CID 104785444
5-fluoro-N-(3-hydroxyphenyl)pyridine-3-carboxamide
CID 113287958
N-[4-(2-bromoethyl)phenyl]-5-fluoropyridine-3-carboxamide
CID 104786611
5-fluoro-N-(2-sulfamoylphenyl)pyridine-3-carboxamide
CID 104786397
4-[(5-fluoropyridine-3-carbonyl)amino]-3-methylbenzenesulfonyl chloride
CID 104785746
5-fluoro-N-[4-(1-hydroxyethyl)phenyl]pyridine-3-carboxamide
CID 104786162
4-[(3-bromobenzoyl)amino]-2-fluorobenzenesulfonyl chloride
CID 43100856
4-[(4-chlorobenzoyl)amino]-2-fluorobenzenesulfonyl chloride
CID 43111720
5-fluoro-N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]pyridine-3-carboxamide
CID 104786337
N-[4-(2-aminoethyl)phenyl]-5-fluoropyridine-3-carboxamide
CID 104785334

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[(5-fluoropyridine-3-carbonyl)amino]benzenesulfonyl chloride?
The IUPAC name of 2-bromo-4-[(5-fluoropyridine-3-carbonyl)amino]benzenesulfonyl chloride (CID 104785745) is 2-bromo-4-[(5-fluoropyridine-3-carbonyl)amino]benzenesulfonyl chloride.
What is the SMILES notation for 2-bromo-4-[(5-fluoropyridine-3-carbonyl)amino]benzenesulfonyl chloride?
The canonical SMILES for 2-bromo-4-[(5-fluoropyridine-3-carbonyl)amino]benzenesulfonyl chloride is O=C(Nc1ccc(S(=O)(=O)Cl)c(Br)c1)c1cncc(F)c1.
What is the InChIKey of 2-bromo-4-[(5-fluoropyridine-3-carbonyl)amino]benzenesulfonyl chloride?
The InChIKey is LFJWCURMFLSICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClFN2O3S/c13-10-4-9(1-2-11(10)21(14,19)20)17-12(18)7-3-8(15)6-16-5-7/h1-6H,(H,17,18).
What are the key properties of 2-bromo-4-[(5-fluoropyridine-3-carbonyl)amino]benzenesulfonyl chloride?
2-bromo-4-[(5-fluoropyridine-3-carbonyl)amino]benzenesulfonyl chloride has a molecular weight of 393.62 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[(5-fluoropyridine-3-carbonyl)amino]benzenesulfonyl chloride is sourced from PubChem (CID 104785745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).