5-bromo-2-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide

C9H8BrN3O3S2 — CID 60824545

IUPAC5-bromo-2-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)Nc1nncs1
InChIInChI=1S/C9H8BrN3O3S2/c1-16-7-3-2-6(10)4-8(7)18(14,15)13-9-12-11-5-17-9/h2-5H,1H3,(H,12,13)
InChIKeyLIGGANLLVJPGTK-UHFFFAOYSA-N
MW350.22 g/mol
LogP2.11
Rot. Bonds4

About 5-bromo-2-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide

5-bromo-2-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide (PubChem CID 60824545) has the molecular formula C9H8BrN3O3S2 and a molecular weight of 350.22 g/mol. Its IUPAC name is 5-bromo-2-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
PubChem CID60824545
Molecular FormulaC9H8BrN3O3S2
Molecular Weight350.22 g/mol
Exact Mass348.92
IUPAC Name5-bromo-2-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)Nc1nncs1
InChIInChI=1S/C9H8BrN3O3S2/c1-16-7-3-2-6(10)4-8(7)18(14,15)13-9-12-11-5-17-9/h2-5H,1H3,(H,12,13)
InChIKeyLIGGANLLVJPGTK-UHFFFAOYSA-N
XLogP2.11
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.22
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,5-dimethoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 25044343
5-(ethylaminomethyl)-2-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 106081210
3-chloro-4-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 163351568
4-(aminomethyl)-2-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 106081250
2-[2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 87545579
5-bromo-2-methoxy-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 78955910
4-bromo-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 5049984
5-bromo-N-(3,5-difluorophenyl)-2-methoxybenzenesulfonamide
CID 35940097
5-bromo-N-(6-bromo-2-pyridinyl)-2-methoxybenzenesulfonamide
CID 115631102
5-bromo-2-methoxy-N-(1H-pyrazol-5-yl)benzenesulfonamide
CID 56684268
4-(ethylaminomethyl)-2-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 106081280
N-(2-aminophenyl)-5-bromo-2-methoxybenzenesulfonamide
CID 43605604

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The IUPAC name of 5-bromo-2-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide (CID 60824545) is 5-bromo-2-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 5-bromo-2-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 5-bromo-2-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide is COc1ccc(Br)cc1S(=O)(=O)Nc1nncs1.
What is the InChIKey of 5-bromo-2-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The InChIKey is LIGGANLLVJPGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN3O3S2/c1-16-7-3-2-6(10)4-8(7)18(14,15)13-9-12-11-5-17-9/h2-5H,1H3,(H,12,13).
What are the key properties of 5-bromo-2-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
5-bromo-2-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide has a molecular weight of 350.22 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 60824545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).