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

C10H12N4O3S2 — CID 106081250

IUPAC4-(aminomethyl)-2-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCOc1cc(CN)ccc1S(=O)(=O)Nc1nncs1
InChIInChI=1S/C10H12N4O3S2/c1-17-8-4-7(5-11)2-3-9(8)19(15,16)14-10-13-12-6-18-10/h2-4,6H,5,11H2,1H3,(H,13,14)
InChIKeyCPZXMUXRNIIZLO-UHFFFAOYSA-N
MW300.37 g/mol
LogP0.81
Rot. Bonds5

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

4-(aminomethyl)-2-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide (PubChem CID 106081250) has the molecular formula C10H12N4O3S2 and a molecular weight of 300.37 g/mol. Its IUPAC name is 4-(aminomethyl)-2-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-2-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
PubChem CID106081250
Molecular FormulaC10H12N4O3S2
Molecular Weight300.37 g/mol
Exact Mass300.04
IUPAC Name4-(aminomethyl)-2-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCOc1cc(CN)ccc1S(=O)(=O)Nc1nncs1
InChIInChI=1S/C10H12N4O3S2/c1-17-8-4-7(5-11)2-3-9(8)19(15,16)14-10-13-12-6-18-10/h2-4,6H,5,11H2,1H3,(H,13,14)
InChIKeyCPZXMUXRNIIZLO-UHFFFAOYSA-N
XLogP0.81
TPSA107.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-(ethylaminomethyl)-2-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 106081280
5-(ethylaminomethyl)-2-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 106081210
2,5-dimethoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 25044343
5-bromo-2-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 60824545
1-[4-(aminomethyl)phenyl]-N-(1,3,4-thiadiazol-2-yl)methanesulfonamide
CID 106081189
5-(aminomethyl)-3-bromo-2-methyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 106081247
4-(aminomethyl)-2-methoxy-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 106031507
4-(aminomethyl)-2-methoxy-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 106079744
3-chloro-4-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 163351568
4-(aminomethyl)-2-methoxy-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 106053827
methyl 3-amino-4-(1,3,4-thiadiazol-2-ylsulfamoyl)benzoate
CID 29031266
4-(aminomethyl)-N-[4-(dimethylamino)butan-2-yl]-2-methoxybenzenesulfonamide
CID 106054924

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-2-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide (CID 106081250) is 4-(aminomethyl)-2-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-2-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-2-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide is COc1cc(CN)ccc1S(=O)(=O)Nc1nncs1.
What is the InChIKey of 4-(aminomethyl)-2-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The InChIKey is CPZXMUXRNIIZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3S2/c1-17-8-4-7(5-11)2-3-9(8)19(15,16)14-10-13-12-6-18-10/h2-4,6H,5,11H2,1H3,(H,13,14).
What are the key properties of 4-(aminomethyl)-2-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
4-(aminomethyl)-2-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide has a molecular weight of 300.37 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 106081250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).