2,4-dichloro-N-[5-[[(2R)-oxolan-2-yl]methylsulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide

C14H14Cl2N4O4S2 — CID 100565713

IUPAC2,4-dichloro-N-[5-[[(2R)-oxolan-2-yl]methylsulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(S(=O)(=O)NC[C@H]2CCCO2)s1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H14Cl2N4O4S2/c15-8-3-4-10(11(16)6-8)12(21)18-13-19-20-14(25-13)26(22,23)17-7-9-2-1-5-24-9/h3-4,6,9,17H,1-2,5,7H2,(H,18,19,21)/t9-/m1/s1
InChIKeyVZAMKYBSZKUWDE-SECBINFHSA-N
MW437.33 g/mol
LogP2.55
Rot. Bonds6

About 2,4-dichloro-N-[5-[[(2R)-oxolan-2-yl]methylsulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide

2,4-dichloro-N-[5-[[(2R)-oxolan-2-yl]methylsulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 100565713) has the molecular formula C14H14Cl2N4O4S2 and a molecular weight of 437.33 g/mol. Its IUPAC name is 2,4-dichloro-N-[5-[[(2R)-oxolan-2-yl]methylsulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[5-[[(2R)-oxolan-2-yl]methylsulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID100565713
Molecular FormulaC14H14Cl2N4O4S2
Molecular Weight437.33 g/mol
Exact Mass435.98
IUPAC Name2,4-dichloro-N-[5-[[(2R)-oxolan-2-yl]methylsulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(S(=O)(=O)NC[C@H]2CCCO2)s1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H14Cl2N4O4S2/c15-8-3-4-10(11(16)6-8)12(21)18-13-19-20-14(25-13)26(22,23)17-7-9-2-1-5-24-9/h3-4,6,9,17H,1-2,5,7H2,(H,18,19,21)/t9-/m1/s1
InChIKeyVZAMKYBSZKUWDE-SECBINFHSA-N
XLogP2.55
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.33
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[5-[[(2R)-oxolan-2-yl]methylsulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 100772136
2,4-dichloro-N-[5-(3-pyrrolidin-1-ylpropylsulfamoyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 100748234
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-chloro-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 55954261
2,4-dichloro-N-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide
CID 40740660
2,4-dichloro-N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17202248
2,4-dichloro-N-(5-piperidin-1-ylsulfonyl-1,3,4-thiadiazol-2-yl)benzamide
CID 100538861
2,4-dichloro-N-[5-[(2,5-diethylphenyl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 100612471
2-(4-methylphenoxy)-N-[5-[[(2R)-oxolan-2-yl]methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 51606970
N-[5-(butan-2-ylsulfamoyl)-1,3,4-thiadiazol-2-yl]-2,4-dichlorobenzamide
CID 133199546
N-[5-[(4-bromophenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-2,4-dichlorobenzamide
CID 100579791
2-[(2,4-dichlorobenzoyl)amino]-N-[[(2S)-oxolan-2-yl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 1305398
5-chloro-2-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 110759337

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[5-[[(2R)-oxolan-2-yl]methylsulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of 2,4-dichloro-N-[5-[[(2R)-oxolan-2-yl]methylsulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide (CID 100565713) is 2,4-dichloro-N-[5-[[(2R)-oxolan-2-yl]methylsulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[5-[[(2R)-oxolan-2-yl]methylsulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[5-[[(2R)-oxolan-2-yl]methylsulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide is O=C(Nc1nnc(S(=O)(=O)NC[C@H]2CCCO2)s1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[5-[[(2R)-oxolan-2-yl]methylsulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is VZAMKYBSZKUWDE-SECBINFHSA-N. The full InChI is InChI=1S/C14H14Cl2N4O4S2/c15-8-3-4-10(11(16)6-8)12(21)18-13-19-20-14(25-13)26(22,23)17-7-9-2-1-5-24-9/h3-4,6,9,17H,1-2,5,7H2,(H,18,19,21)/t9-/m1/s1.
What are the key properties of 2,4-dichloro-N-[5-[[(2R)-oxolan-2-yl]methylsulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide?
2,4-dichloro-N-[5-[[(2R)-oxolan-2-yl]methylsulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 437.33 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[5-[[(2R)-oxolan-2-yl]methylsulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 100565713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).