N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-4-methoxybenzenesulfonamide

C10H12N4O3S2 — CID 92659524

IUPACN-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2nnc(N)s2)cc1
InChIInChI=1S/C10H12N4O3S2/c1-17-7-2-4-8(5-3-7)19(15,16)12-6-9-13-14-10(11)18-9/h2-5,12H,6H2,1H3,(H2,11,14)
InChIKeyLWJMGZIBWUPESI-UHFFFAOYSA-N
MW300.37 g/mol
LogP0.61
Rot. Bonds5

About N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-4-methoxybenzenesulfonamide

N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-4-methoxybenzenesulfonamide (PubChem CID 92659524) has the molecular formula C10H12N4O3S2 and a molecular weight of 300.37 g/mol. Its IUPAC name is N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-4-methoxybenzenesulfonamide
PubChem CID92659524
Molecular FormulaC10H12N4O3S2
Molecular Weight300.37 g/mol
Exact Mass300.04
IUPAC NameN-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2nnc(N)s2)cc1
InChIInChI=1S/C10H12N4O3S2/c1-17-7-2-4-8(5-3-7)19(15,16)12-6-9-13-14-10(11)18-9/h2-5,12H,6H2,1H3,(H2,11,14)
InChIKeyLWJMGZIBWUPESI-UHFFFAOYSA-N
XLogP0.61
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 ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-methoxyphenyl)-5-[[(4-methylphenyl)sulfonylamino]methyl]-1,3,4-thiadiazole-2-carboxamide
CID 53100281
N-(2-amino-2-methylpropyl)-4-methoxybenzenesulfonamide
CID 115303620
4-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]benzenesulfonamide
CID 110870208
4-N-[(4-methoxyphenyl)methyl]benzene-1,4-disulfonamide
CID 26527057
N-benzyl-4-methoxybenzenesulfonamide
CID 741351
N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-4-bromobenzenesulfonamide
CID 46785999
4-[(4-methoxyphenyl)methylsulfamoyl]benzamide
CID 27186990
4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]propyl]benzenesulfonamide
CID 2164945
N-[[4-(3,4-dihydroxyphenyl)-1,3-thiazol-2-yl]methyl]-4-methoxybenzenesulfonamide
CID 110393835
4-chloro-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]benzenesulfonamide
CID 110870210
N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]benzenesulfonamide
CID 92659518
2-(5-amino-1,3,4-thiadiazol-2-yl)-N-(4-methoxyphenyl)acetamide
CID 6487525

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-4-methoxybenzenesulfonamide (CID 92659524) is N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCc2nnc(N)s2)cc1.
What is the InChIKey of N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-4-methoxybenzenesulfonamide?
The InChIKey is LWJMGZIBWUPESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3S2/c1-17-7-2-4-8(5-3-7)19(15,16)12-6-9-13-14-10(11)18-9/h2-5,12H,6H2,1H3,(H2,11,14).
What are the key properties of N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-4-methoxybenzenesulfonamide?
N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-4-methoxybenzenesulfonamide has a molecular weight of 300.37 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 92659524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).