N-(6-bromo-2-methyl-3-pyridinyl)-2,5-dichlorothiophene-3-sulfonamide

C10H7BrCl2N2O2S2 — CID 113349554

IUPACN-(6-bromo-2-methyl-3-pyridinyl)-2,5-dichlorothiophene-3-sulfonamide
SMILESCc1nc(Br)ccc1NS(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C10H7BrCl2N2O2S2/c1-5-6(2-3-8(11)14-5)15-19(16,17)7-4-9(12)18-10(7)13/h2-4,15H,1H3
InChIKeyKZXRHVONYBKUPX-UHFFFAOYSA-N
MW402.12 g/mol
LogP4.32
Rot. Bonds3

About N-(6-bromo-2-methyl-3-pyridinyl)-2,5-dichlorothiophene-3-sulfonamide

N-(6-bromo-2-methyl-3-pyridinyl)-2,5-dichlorothiophene-3-sulfonamide (PubChem CID 113349554) has the molecular formula C10H7BrCl2N2O2S2 and a molecular weight of 402.12 g/mol. Its IUPAC name is N-(6-bromo-2-methyl-3-pyridinyl)-2,5-dichlorothiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(6-bromo-2-methyl-3-pyridinyl)-2,5-dichlorothiophene-3-sulfonamide
PubChem CID113349554
Molecular FormulaC10H7BrCl2N2O2S2
Molecular Weight402.12 g/mol
Exact Mass399.85
IUPAC NameN-(6-bromo-2-methyl-3-pyridinyl)-2,5-dichlorothiophene-3-sulfonamide
SMILESCc1nc(Br)ccc1NS(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C10H7BrCl2N2O2S2/c1-5-6(2-3-8(11)14-5)15-19(16,17)7-4-9(12)18-10(7)13/h2-4,15H,1H3
InChIKeyKZXRHVONYBKUPX-UHFFFAOYSA-N
XLogP4.32
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.12
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(5-bromo-2-methylphenyl)-2,5-dichlorothiophene-3-sulfonamide
CID 3773428
N-(6-bromo-2-pyridinyl)-2,5-dichlorothiophene-3-sulfonamide
CID 43520652
2,5-dichloro-N-[2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-4,5-dimethylphenyl]thiophene-3-sulfonamide
CID 70138974
N-(6-bromo-2-methyl-3-pyridinyl)-2,5-dimethylbenzenesulfonamide
CID 103907913
N-(5-amino-2-bromo-4-methylphenyl)-2,5-dichlorothiophene-3-sulfonamide
CID 104814671
2,5-dichloro-N-(2,4-dichlorophenyl)thiophene-3-sulfonamide
CID 18282859
N-(6-bromo-2-methyl-3-pyridinyl)-2-fluorobenzenesulfonamide
CID 113349565
2,5-dichloro-N-(4-chloro-6-methylpyrimidin-2-yl)thiophene-3-sulfonamide
CID 114053568
5-bromo-N-(6-chloro-2-methyl-3-pyridinyl)-2-methylbenzenesulfonamide
CID 107266690
2,5-dichloro-N-(4-chloro-2-hydroxyphenyl)thiophene-3-sulfonamide
CID 81433543
N-(3-amino-2-methylphenyl)-2,5-dichlorothiophene-3-sulfonamide
CID 43167106
N-(6-bromo-2-methyl-3-pyridinyl)-4-cyano-2-methylbenzenesulfonamide
CID 103907908

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2-methyl-3-pyridinyl)-2,5-dichlorothiophene-3-sulfonamide?
The IUPAC name of N-(6-bromo-2-methyl-3-pyridinyl)-2,5-dichlorothiophene-3-sulfonamide (CID 113349554) is N-(6-bromo-2-methyl-3-pyridinyl)-2,5-dichlorothiophene-3-sulfonamide.
What is the SMILES notation for N-(6-bromo-2-methyl-3-pyridinyl)-2,5-dichlorothiophene-3-sulfonamide?
The canonical SMILES for N-(6-bromo-2-methyl-3-pyridinyl)-2,5-dichlorothiophene-3-sulfonamide is Cc1nc(Br)ccc1NS(=O)(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of N-(6-bromo-2-methyl-3-pyridinyl)-2,5-dichlorothiophene-3-sulfonamide?
The InChIKey is KZXRHVONYBKUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrCl2N2O2S2/c1-5-6(2-3-8(11)14-5)15-19(16,17)7-4-9(12)18-10(7)13/h2-4,15H,1H3.
What are the key properties of N-(6-bromo-2-methyl-3-pyridinyl)-2,5-dichlorothiophene-3-sulfonamide?
N-(6-bromo-2-methyl-3-pyridinyl)-2,5-dichlorothiophene-3-sulfonamide has a molecular weight of 402.12 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-2-methyl-3-pyridinyl)-2,5-dichlorothiophene-3-sulfonamide is sourced from PubChem (CID 113349554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).