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

C10H11N3O4S2 — CID 25044343

IUPAC2,5-dimethoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2nncs2)c1
InChIInChI=1S/C10H11N3O4S2/c1-16-7-3-4-8(17-2)9(5-7)19(14,15)13-10-12-11-6-18-10/h3-6H,1-2H3,(H,12,13)
InChIKeyIFXMQGRABNUEAZ-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.36
Rot. Bonds5

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

2,5-dimethoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide (PubChem CID 25044343) has the molecular formula C10H11N3O4S2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 2,5-dimethoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
PubChem CID25044343
Molecular FormulaC10H11N3O4S2
Molecular Weight301.35 g/mol
Exact Mass301.02
IUPAC Name2,5-dimethoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2nncs2)c1
InChIInChI=1S/C10H11N3O4S2/c1-16-7-3-4-8(17-2)9(5-7)19(14,15)13-10-12-11-6-18-10/h3-6H,1-2H3,(H,12,13)
InChIKeyIFXMQGRABNUEAZ-UHFFFAOYSA-N
XLogP1.36
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-bromo-2-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 60824545
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
2,5-dimethoxy-N-pyrimidin-2-ylbenzenesulfonamide
CID 19683567
4-(aminomethyl)-2-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 106081250
2-[2-[(2,5-dimethoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 87546100
4-(ethylaminomethyl)-2-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 106081280
2,5-dimethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)benzenesulfonamide
CID 4806091
N-(6-fluoro-1,3-benzothiazol-2-yl)-2,5-dimethoxybenzenesulfonamide
CID 3764092
2,5-dimethoxy-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 115631172
N-(2-aminophenyl)-2,5-dimethoxybenzenesulfonamide
CID 43605524
2,5-dimethoxy-N-(3-methylphenyl)benzenesulfonamide
CID 3383057

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The IUPAC name of 2,5-dimethoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide (CID 25044343) is 2,5-dimethoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 2,5-dimethoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 2,5-dimethoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)Nc2nncs2)c1.
What is the InChIKey of 2,5-dimethoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The InChIKey is IFXMQGRABNUEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4S2/c1-16-7-3-4-8(17-2)9(5-7)19(14,15)13-10-12-11-6-18-10/h3-6H,1-2H3,(H,12,13).
What are the key properties of 2,5-dimethoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
2,5-dimethoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide has a molecular weight of 301.35 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 25044343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).