N-(3-bromo-2-fluorophenyl)-2,5-difluoro-N-(methoxymethyl)benzenesulfonamide

C14H11BrF3NO3S — CID 66729400

IUPACN-(3-bromo-2-fluorophenyl)-2,5-difluoro-N-(methoxymethyl)benzenesulfonamide
SMILESCOCN(c1cccc(Br)c1F)S(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C14H11BrF3NO3S/c1-22-8-19(12-4-2-3-10(15)14(12)18)23(20,21)13-7-9(16)5-6-11(13)17/h2-7H,8H2,1H3
InChIKeyMTVDLHWQIKSRBH-UHFFFAOYSA-N
MW410.21 g/mol
LogP3.67
Rot. Bonds5

About N-(3-bromo-2-fluorophenyl)-2,5-difluoro-N-(methoxymethyl)benzenesulfonamide

N-(3-bromo-2-fluorophenyl)-2,5-difluoro-N-(methoxymethyl)benzenesulfonamide (PubChem CID 66729400) has the molecular formula C14H11BrF3NO3S and a molecular weight of 410.21 g/mol. Its IUPAC name is N-(3-bromo-2-fluorophenyl)-2,5-difluoro-N-(methoxymethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-bromo-2-fluorophenyl)-2,5-difluoro-N-(methoxymethyl)benzenesulfonamide
PubChem CID66729400
Molecular FormulaC14H11BrF3NO3S
Molecular Weight410.21 g/mol
Exact Mass408.96
IUPAC NameN-(3-bromo-2-fluorophenyl)-2,5-difluoro-N-(methoxymethyl)benzenesulfonamide
SMILESCOCN(c1cccc(Br)c1F)S(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C14H11BrF3NO3S/c1-22-8-19(12-4-2-3-10(15)14(12)18)23(20,21)13-7-9(16)5-6-11(13)17/h2-7H,8H2,1H3
InChIKeyMTVDLHWQIKSRBH-UHFFFAOYSA-N
XLogP3.67
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.21
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[3-[1-ethyl-4-(1-oxidopyridin-1-ium-4-yl)pyrazol-3-yl]-2-fluorophenyl]-2,5-difluoro-N-(methoxymethyl)benzenesulfonamide
CID 66729614
2,5-difluoro-N-[2-fluoro-3-(2-piperidin-4-yl-5-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]-N-(methoxymethyl)benzenesulfonamide
CID 118543258
2,5-difluoro-N-[2-fluoro-3-[2-(oxan-4-yl)-5-(1-oxidopyridin-1-ium-4-yl)-1,3-thiazol-4-yl]phenyl]-N-(methoxymethyl)benzenesulfonamide
CID 140622934
N-[3-[4-[2-(tert-butylamino)-4-pyridinyl]-1-(1-methylpiperidin-4-yl)pyrazol-3-yl]-2-fluorophenyl]-2,5-difluoro-N-(methoxymethyl)benzenesulfonamide
CID 66729660
N-[3-[4-(2,3-dihydropyridin-4-yl)-1-(1-hydroxyhexan-3-yl)pyrazol-3-yl]-2-fluorophenyl]-2,5-difluoro-N-(methoxymethyl)benzenesulfonamide
CID 123313195
N-[3-[5-(2-chloro-4-pyridinyl)-2-(1-cyclopropylpiperidin-4-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,5-difluoro-N-(methoxymethyl)benzenesulfonamide
CID 118543262
2,5-difluoro-N-methyl-N-(2-phenylphenyl)benzenesulfonamide
CID 60589332
N-ethyl-2,5-difluoro-N-(3-hydroxyphenyl)benzenesulfonamide
CID 103223870
N-[3-[2-(cyclohexylamino)-5-pyridin-4-yl-1,3-thiazol-4-yl]-2,4-difluorophenyl]-2,5-difluoro-N-(methoxymethyl)benzenesulfonamide
CID 86704195
N-[4-[4-[3-[(2,5-difluorophenyl)sulfonyl-(methoxymethyl)amino]-2-fluorophenyl]-2-(oxan-4-yl)-1,3-thiazol-5-yl]-2-pyridinyl]acetamide
CID 118543265
N-(1-bromopropan-2-yl)-2,5-difluoro-N-methylbenzenesulfonamide
CID 104556434
N-(6-bromo-2-pyridinyl)-2,4-difluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 75504341

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-fluorophenyl)-2,5-difluoro-N-(methoxymethyl)benzenesulfonamide?
The IUPAC name of N-(3-bromo-2-fluorophenyl)-2,5-difluoro-N-(methoxymethyl)benzenesulfonamide (CID 66729400) is N-(3-bromo-2-fluorophenyl)-2,5-difluoro-N-(methoxymethyl)benzenesulfonamide.
What is the SMILES notation for N-(3-bromo-2-fluorophenyl)-2,5-difluoro-N-(methoxymethyl)benzenesulfonamide?
The canonical SMILES for N-(3-bromo-2-fluorophenyl)-2,5-difluoro-N-(methoxymethyl)benzenesulfonamide is COCN(c1cccc(Br)c1F)S(=O)(=O)c1cc(F)ccc1F.
What is the InChIKey of N-(3-bromo-2-fluorophenyl)-2,5-difluoro-N-(methoxymethyl)benzenesulfonamide?
The InChIKey is MTVDLHWQIKSRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF3NO3S/c1-22-8-19(12-4-2-3-10(15)14(12)18)23(20,21)13-7-9(16)5-6-11(13)17/h2-7H,8H2,1H3.
What are the key properties of N-(3-bromo-2-fluorophenyl)-2,5-difluoro-N-(methoxymethyl)benzenesulfonamide?
N-(3-bromo-2-fluorophenyl)-2,5-difluoro-N-(methoxymethyl)benzenesulfonamide has a molecular weight of 410.21 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-fluorophenyl)-2,5-difluoro-N-(methoxymethyl)benzenesulfonamide is sourced from PubChem (CID 66729400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).