N-[[4-(difluoromethoxy)phenyl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide

C14H11F2N3O3S2 — CID 43025858

IUPACN-[[4-(difluoromethoxy)phenyl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide
SMILESO=S(=O)(NCc1ccc(OC(F)F)cc1)c1cccc2nsnc12
InChIInChI=1S/C14H11F2N3O3S2/c15-14(16)22-10-6-4-9(5-7-10)8-17-24(20,21)12-3-1-2-11-13(12)19-23-18-11/h1-7,14,17H,8H2
InChIKeySVRWABUEORQFRW-UHFFFAOYSA-N
MW371.39 g/mol
LogP2.77
Rot. Bonds6

About N-[[4-(difluoromethoxy)phenyl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide

N-[[4-(difluoromethoxy)phenyl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide (PubChem CID 43025858) has the molecular formula C14H11F2N3O3S2 and a molecular weight of 371.39 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)phenyl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)phenyl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide
PubChem CID43025858
Molecular FormulaC14H11F2N3O3S2
Molecular Weight371.39 g/mol
Exact Mass371.02
IUPAC NameN-[[4-(difluoromethoxy)phenyl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide
SMILESO=S(=O)(NCc1ccc(OC(F)F)cc1)c1cccc2nsnc12
InChIInChI=1S/C14H11F2N3O3S2/c15-14(16)22-10-6-4-9(5-7-10)8-17-24(20,21)12-3-1-2-11-13(12)19-23-18-11/h1-7,14,17H,8H2
InChIKeySVRWABUEORQFRW-UHFFFAOYSA-N
XLogP2.77
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide?
The IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide (CID 43025858) is N-[[4-(difluoromethoxy)phenyl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide.
What is the SMILES notation for N-[[4-(difluoromethoxy)phenyl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide?
The canonical SMILES for N-[[4-(difluoromethoxy)phenyl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide is O=S(=O)(NCc1ccc(OC(F)F)cc1)c1cccc2nsnc12.
What is the InChIKey of N-[[4-(difluoromethoxy)phenyl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide?
The InChIKey is SVRWABUEORQFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N3O3S2/c15-14(16)22-10-6-4-9(5-7-10)8-17-24(20,21)12-3-1-2-11-13(12)19-23-18-11/h1-7,14,17H,8H2.
What are the key properties of N-[[4-(difluoromethoxy)phenyl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide?
N-[[4-(difluoromethoxy)phenyl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide has a molecular weight of 371.39 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)phenyl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide is sourced from PubChem (CID 43025858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).