N-(5-bromo-2,4-difluorophenyl)-5-chloro-1-methylimidazole-4-sulfonamide

C10H7BrClF2N3O2S — CID 102846862

IUPACN-(5-bromo-2,4-difluorophenyl)-5-chloro-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)Nc2cc(Br)c(F)cc2F)c1Cl
InChIInChI=1S/C10H7BrClF2N3O2S/c1-17-4-15-10(9(17)12)20(18,19)16-8-2-5(11)6(13)3-7(8)14/h2-4,16H,1H3
InChIKeyKSAMHIVOJGWXBQ-UHFFFAOYSA-N
MW386.61 g/mol
LogP2.91
Rot. Bonds3

About N-(5-bromo-2,4-difluorophenyl)-5-chloro-1-methylimidazole-4-sulfonamide

N-(5-bromo-2,4-difluorophenyl)-5-chloro-1-methylimidazole-4-sulfonamide (PubChem CID 102846862) has the molecular formula C10H7BrClF2N3O2S and a molecular weight of 386.61 g/mol. Its IUPAC name is N-(5-bromo-2,4-difluorophenyl)-5-chloro-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(5-bromo-2,4-difluorophenyl)-5-chloro-1-methylimidazole-4-sulfonamide
PubChem CID102846862
Molecular FormulaC10H7BrClF2N3O2S
Molecular Weight386.61 g/mol
Exact Mass384.91
IUPAC NameN-(5-bromo-2,4-difluorophenyl)-5-chloro-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)Nc2cc(Br)c(F)cc2F)c1Cl
InChIInChI=1S/C10H7BrClF2N3O2S/c1-17-4-15-10(9(17)12)20(18,19)16-8-2-5(11)6(13)3-7(8)14/h2-4,16H,1H3
InChIKeyKSAMHIVOJGWXBQ-UHFFFAOYSA-N
XLogP2.91
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.61
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2,4-difluorophenyl)-5-chloro-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-(5-bromo-2,4-difluorophenyl)-5-chloro-1-methylimidazole-4-sulfonamide (CID 102846862) is N-(5-bromo-2,4-difluorophenyl)-5-chloro-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-(5-bromo-2,4-difluorophenyl)-5-chloro-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-(5-bromo-2,4-difluorophenyl)-5-chloro-1-methylimidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)Nc2cc(Br)c(F)cc2F)c1Cl.
What is the InChIKey of N-(5-bromo-2,4-difluorophenyl)-5-chloro-1-methylimidazole-4-sulfonamide?
The InChIKey is KSAMHIVOJGWXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrClF2N3O2S/c1-17-4-15-10(9(17)12)20(18,19)16-8-2-5(11)6(13)3-7(8)14/h2-4,16H,1H3.
What are the key properties of N-(5-bromo-2,4-difluorophenyl)-5-chloro-1-methylimidazole-4-sulfonamide?
N-(5-bromo-2,4-difluorophenyl)-5-chloro-1-methylimidazole-4-sulfonamide has a molecular weight of 386.61 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2,4-difluorophenyl)-5-chloro-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 102846862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).