(2-chloro-5-morpholin-4-ylsulfonylphenyl)-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]methanone

C18H22ClN5O4S2 — CID 108753363

IUPAC(2-chloro-5-morpholin-4-ylsulfonylphenyl)-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]methanone
SMILESCc1nnc(N2CCN(C(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3Cl)CC2)s1
InChIInChI=1S/C18H22ClN5O4S2/c1-13-20-21-18(29-13)23-6-4-22(5-7-23)17(25)15-12-14(2-3-16(15)19)30(26,27)24-8-10-28-11-9-24/h2-3,12H,4-11H2,1H3
InChIKeyIYIJFFDCRCVOGQ-UHFFFAOYSA-N
MW471.99 g/mol
LogP1.48
Rot. Bonds4

About (2-chloro-5-morpholin-4-ylsulfonylphenyl)-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]methanone

(2-chloro-5-morpholin-4-ylsulfonylphenyl)-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]methanone (PubChem CID 108753363) has the molecular formula C18H22ClN5O4S2 and a molecular weight of 471.99 g/mol. Its IUPAC name is (2-chloro-5-morpholin-4-ylsulfonylphenyl)-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-chloro-5-morpholin-4-ylsulfonylphenyl)-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]methanone
PubChem CID108753363
Molecular FormulaC18H22ClN5O4S2
Molecular Weight471.99 g/mol
Exact Mass471.08
IUPAC Name(2-chloro-5-morpholin-4-ylsulfonylphenyl)-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]methanone
SMILESCc1nnc(N2CCN(C(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3Cl)CC2)s1
InChIInChI=1S/C18H22ClN5O4S2/c1-13-20-21-18(29-13)23-6-4-22(5-7-23)17(25)15-12-14(2-3-16(15)19)30(26,27)24-8-10-28-11-9-24/h2-3,12H,4-11H2,1H3
InChIKeyIYIJFFDCRCVOGQ-UHFFFAOYSA-N
XLogP1.48
TPSA95.94 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.99
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[4-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 41116812
(2-chloro-5-thiomorpholin-4-ylsulfonylphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 46387596
methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 779059
(4-chloro-3-nitrophenyl)-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]methanone
CID 108729477
[4-(2-fluorophenyl)piperazin-1-yl]-(2-methyl-5-morpholin-4-ylsulfonylphenyl)methanone
CID 26590808
(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 27665354
2-[4-(benzenesulfonyl)piperazin-1-yl]-5-methyl-1,3,4-thiadiazole
CID 108780877
2-chloro-N',N'-dimethyl-5-morpholin-4-ylsulfonylbenzohydrazide
CID 9163691
[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 41115268
[4-(5,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 41116470
(2-chloro-5-piperidin-1-ylsulfonylphenyl)-piperidin-1-ylmethanone
CID 1069862
(2-chloro-5-morpholin-4-ylsulfonylphenyl)-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 39951393

Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-morpholin-4-ylsulfonylphenyl)-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]methanone?
The IUPAC name of (2-chloro-5-morpholin-4-ylsulfonylphenyl)-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]methanone (CID 108753363) is (2-chloro-5-morpholin-4-ylsulfonylphenyl)-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-chloro-5-morpholin-4-ylsulfonylphenyl)-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for (2-chloro-5-morpholin-4-ylsulfonylphenyl)-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]methanone is Cc1nnc(N2CCN(C(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3Cl)CC2)s1.
What is the InChIKey of (2-chloro-5-morpholin-4-ylsulfonylphenyl)-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]methanone?
The InChIKey is IYIJFFDCRCVOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN5O4S2/c1-13-20-21-18(29-13)23-6-4-22(5-7-23)17(25)15-12-14(2-3-16(15)19)30(26,27)24-8-10-28-11-9-24/h2-3,12H,4-11H2,1H3.
What are the key properties of (2-chloro-5-morpholin-4-ylsulfonylphenyl)-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]methanone?
(2-chloro-5-morpholin-4-ylsulfonylphenyl)-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]methanone has a molecular weight of 471.99 g/mol, XLogP of 1.48, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5-morpholin-4-ylsulfonylphenyl)-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 108753363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).