N-[2-(difluoromethoxy)-5-methylphenyl]-2,1,3-benzothiadiazole-4-sulfonamide

C14H11F2N3O3S2 — CID 19684090

IUPACN-[2-(difluoromethoxy)-5-methylphenyl]-2,1,3-benzothiadiazole-4-sulfonamide
SMILESCc1ccc(OC(F)F)c(NS(=O)(=O)c2cccc3nsnc23)c1
InChIInChI=1S/C14H11F2N3O3S2/c1-8-5-6-11(22-14(15)16)10(7-8)19-24(20,21)12-4-2-3-9-13(12)18-23-17-9/h2-7,14,19H,1H3
InChIKeySWBSBZNADLWJMD-UHFFFAOYSA-N
MW371.39 g/mol
LogP3.40
Rot. Bonds5

About N-[2-(difluoromethoxy)-5-methylphenyl]-2,1,3-benzothiadiazole-4-sulfonamide

N-[2-(difluoromethoxy)-5-methylphenyl]-2,1,3-benzothiadiazole-4-sulfonamide (PubChem CID 19684090) has the molecular formula C14H11F2N3O3S2 and a molecular weight of 371.39 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)-5-methylphenyl]-2,1,3-benzothiadiazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)-5-methylphenyl]-2,1,3-benzothiadiazole-4-sulfonamide
PubChem CID19684090
Molecular FormulaC14H11F2N3O3S2
Molecular Weight371.39 g/mol
Exact Mass371.02
IUPAC NameN-[2-(difluoromethoxy)-5-methylphenyl]-2,1,3-benzothiadiazole-4-sulfonamide
SMILESCc1ccc(OC(F)F)c(NS(=O)(=O)c2cccc3nsnc23)c1
InChIInChI=1S/C14H11F2N3O3S2/c1-8-5-6-11(22-14(15)16)10(7-8)19-24(20,21)12-4-2-3-9-13(12)18-23-17-9/h2-7,14,19H,1H3
InChIKeySWBSBZNADLWJMD-UHFFFAOYSA-N
XLogP3.40
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diazox_sulfon_A(36)', 'substructure': 'N/A'}

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Related Compounds

N-[2-(difluoromethoxy)phenyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 8933439
2,4,5-trichloro-N-[2-(difluoromethoxy)-5-methylphenyl]benzenesulfonamide
CID 19684098
N-[2-(difluoromethoxy)-5-methylphenyl]thiophene-2-sulfonamide
CID 19684078
N-(4-methoxy-2-methylphenyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 22202569
N-(2-methylsulfanylphenyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 22775212
N-(2,3,5,6-tetrafluorophenyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 22774605
N-[2-(difluoromethoxy)-5-methylphenyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 19684084
N-[5-methyl-2-(morpholine-4-carbonyl)phenyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 58906255
methyl 3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-4-methylbenzoate
CID 22774356
N-[[4-(difluoromethoxy)phenyl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 43025858
methyl 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-4-fluorobenzoate
CID 67202118
N-[2-(difluoromethoxy)phenyl]-2-fluoro-5-methylbenzenesulfonamide
CID 60532633

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)-5-methylphenyl]-2,1,3-benzothiadiazole-4-sulfonamide?
The IUPAC name of N-[2-(difluoromethoxy)-5-methylphenyl]-2,1,3-benzothiadiazole-4-sulfonamide (CID 19684090) is N-[2-(difluoromethoxy)-5-methylphenyl]-2,1,3-benzothiadiazole-4-sulfonamide.
What is the SMILES notation for N-[2-(difluoromethoxy)-5-methylphenyl]-2,1,3-benzothiadiazole-4-sulfonamide?
The canonical SMILES for N-[2-(difluoromethoxy)-5-methylphenyl]-2,1,3-benzothiadiazole-4-sulfonamide is Cc1ccc(OC(F)F)c(NS(=O)(=O)c2cccc3nsnc23)c1.
What is the InChIKey of N-[2-(difluoromethoxy)-5-methylphenyl]-2,1,3-benzothiadiazole-4-sulfonamide?
The InChIKey is SWBSBZNADLWJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N3O3S2/c1-8-5-6-11(22-14(15)16)10(7-8)19-24(20,21)12-4-2-3-9-13(12)18-23-17-9/h2-7,14,19H,1H3.
What are the key properties of N-[2-(difluoromethoxy)-5-methylphenyl]-2,1,3-benzothiadiazole-4-sulfonamide?
N-[2-(difluoromethoxy)-5-methylphenyl]-2,1,3-benzothiadiazole-4-sulfonamide has a molecular weight of 371.39 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)-5-methylphenyl]-2,1,3-benzothiadiazole-4-sulfonamide is sourced from PubChem (CID 19684090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).