N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(morpholine-4-carbonyl)benzenesulfonamide

C15H18N4O4S2 — CID 68531720

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(morpholine-4-carbonyl)benzenesulfonamide
SMILESCCc1nnc(NS(=O)(=O)c2cccc(C(=O)N3CCOCC3)c2)s1
InChIInChI=1S/C15H18N4O4S2/c1-2-13-16-17-15(24-13)18-25(21,22)12-5-3-4-11(10-12)14(20)19-6-8-23-9-7-19/h3-5,10H,2,6-9H2,1H3,(H,17,18)
InChIKeyCADMLYCMDVXFQR-UHFFFAOYSA-N
MW382.47 g/mol
LogP1.37
Rot. Bonds5

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(morpholine-4-carbonyl)benzenesulfonamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(morpholine-4-carbonyl)benzenesulfonamide (PubChem CID 68531720) has the molecular formula C15H18N4O4S2 and a molecular weight of 382.47 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(morpholine-4-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(morpholine-4-carbonyl)benzenesulfonamide
PubChem CID68531720
Molecular FormulaC15H18N4O4S2
Molecular Weight382.47 g/mol
Exact Mass382.08
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(morpholine-4-carbonyl)benzenesulfonamide
SMILESCCc1nnc(NS(=O)(=O)c2cccc(C(=O)N3CCOCC3)c2)s1
InChIInChI=1S/C15H18N4O4S2/c1-2-13-16-17-15(24-13)18-25(21,22)12-5-3-4-11(10-12)14(20)19-6-8-23-9-7-19/h3-5,10H,2,6-9H2,1H3,(H,17,18)
InChIKeyCADMLYCMDVXFQR-UHFFFAOYSA-N
XLogP1.37
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,4-dimethylphenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 110677166
N-(2-methyl-4-pyridinyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 110677176
N-(4-chlorophenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 26583510
N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-morpholin-4-ylsulfonylbenzamide
CID 16831933
methane;(3-methylsulfonylphenyl)-morpholin-4-ylmethanone
CID 144625239
N-(3,4-difluorophenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 109063896
N-(2-methoxyethyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 55565689
3-(morpholine-4-carbonyl)-N-quinolin-8-ylbenzenesulfonamide
CID 109063891
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 72900468
3-(morpholine-4-carbonyl)benzenesulfonyl fluoride
CID 138989242
ethane;(3-ethylphenyl)-morpholin-4-ylmethanone
CID 143725238
N-[3-(dimethylamino)propyl]-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 110677143

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(morpholine-4-carbonyl)benzenesulfonamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(morpholine-4-carbonyl)benzenesulfonamide (CID 68531720) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(morpholine-4-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(morpholine-4-carbonyl)benzenesulfonamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(morpholine-4-carbonyl)benzenesulfonamide is CCc1nnc(NS(=O)(=O)c2cccc(C(=O)N3CCOCC3)c2)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(morpholine-4-carbonyl)benzenesulfonamide?
The InChIKey is CADMLYCMDVXFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O4S2/c1-2-13-16-17-15(24-13)18-25(21,22)12-5-3-4-11(10-12)14(20)19-6-8-23-9-7-19/h3-5,10H,2,6-9H2,1H3,(H,17,18).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(morpholine-4-carbonyl)benzenesulfonamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(morpholine-4-carbonyl)benzenesulfonamide has a molecular weight of 382.47 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(morpholine-4-carbonyl)benzenesulfonamide is sourced from PubChem (CID 68531720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).