2-chloro-5-morpholin-4-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide

C13H13ClN4O4S2 — CID 1036850

IUPAC2-chloro-5-morpholin-4-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESO=C(Nc1nncs1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl
InChIInChI=1S/C13H13ClN4O4S2/c14-11-2-1-9(24(20,21)18-3-5-22-6-4-18)7-10(11)12(19)16-13-17-15-8-23-13/h1-2,7-8H,3-6H2,(H,16,17,19)
InChIKeyRDSQUXOYKMVMBO-UHFFFAOYSA-N
MW388.86 g/mol
LogP1.46
Rot. Bonds4

About 2-chloro-5-morpholin-4-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide

2-chloro-5-morpholin-4-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 1036850) has the molecular formula C13H13ClN4O4S2 and a molecular weight of 388.86 g/mol. Its IUPAC name is 2-chloro-5-morpholin-4-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-chloro-5-morpholin-4-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide
PubChem CID1036850
Molecular FormulaC13H13ClN4O4S2
Molecular Weight388.86 g/mol
Exact Mass388.01
IUPAC Name2-chloro-5-morpholin-4-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESO=C(Nc1nncs1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl
InChIInChI=1S/C13H13ClN4O4S2/c14-11-2-1-9(24(20,21)18-3-5-22-6-4-18)7-10(11)12(19)16-13-17-15-8-23-13/h1-2,7-8H,3-6H2,(H,16,17,19)
InChIKeyRDSQUXOYKMVMBO-UHFFFAOYSA-N
XLogP1.46
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.86
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-morpholin-4-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 2-chloro-5-morpholin-4-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide (CID 1036850) is 2-chloro-5-morpholin-4-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 2-chloro-5-morpholin-4-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 2-chloro-5-morpholin-4-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide is O=C(Nc1nncs1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl.
What is the InChIKey of 2-chloro-5-morpholin-4-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is RDSQUXOYKMVMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O4S2/c14-11-2-1-9(24(20,21)18-3-5-22-6-4-18)7-10(11)12(19)16-13-17-15-8-23-13/h1-2,7-8H,3-6H2,(H,16,17,19).
What are the key properties of 2-chloro-5-morpholin-4-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide?
2-chloro-5-morpholin-4-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 388.86 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-morpholin-4-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 1036850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).