2-chloro-N-(3-methyl-1,3-thiazol-2-ylidene)-5-morpholin-4-ylsulfonylbenzamide

C15H16ClN3O4S2 — CID 24686586

IUPAC2-chloro-N-(3-methyl-1,3-thiazol-2-ylidene)-5-morpholin-4-ylsulfonylbenzamide
SMILESCn1ccs/c1=N\C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl
InChIInChI=1S/C15H16ClN3O4S2/c1-18-6-9-24-15(18)17-14(20)12-10-11(2-3-13(12)16)25(21,22)19-4-7-23-8-5-19/h2-3,6,9-10H,4-5,7-8H2,1H3/b17-15-
InChIKeyWRCYQXPAEYSETJ-ICFOKQHNSA-N
MW401.90 g/mol
LogP1.50
Rot. Bonds3

About 2-chloro-N-(3-methyl-1,3-thiazol-2-ylidene)-5-morpholin-4-ylsulfonylbenzamide

2-chloro-N-(3-methyl-1,3-thiazol-2-ylidene)-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 24686586) has the molecular formula C15H16ClN3O4S2 and a molecular weight of 401.90 g/mol. Its IUPAC name is 2-chloro-N-(3-methyl-1,3-thiazol-2-ylidene)-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(3-methyl-1,3-thiazol-2-ylidene)-5-morpholin-4-ylsulfonylbenzamide
PubChem CID24686586
Molecular FormulaC15H16ClN3O4S2
Molecular Weight401.90 g/mol
Exact Mass401.03
IUPAC Name2-chloro-N-(3-methyl-1,3-thiazol-2-ylidene)-5-morpholin-4-ylsulfonylbenzamide
SMILESCn1ccs/c1=N\C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl
InChIInChI=1S/C15H16ClN3O4S2/c1-18-6-9-24-15(18)17-14(20)12-10-11(2-3-13(12)16)25(21,22)19-4-7-23-8-5-19/h2-3,6,9-10H,4-5,7-8H2,1H3/b17-15-
InChIKeyWRCYQXPAEYSETJ-ICFOKQHNSA-N
XLogP1.50
TPSA80.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.90
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 779059
N-(3-methyl-1,3-thiazol-2-ylidene)-2-piperidin-1-ylsulfonylbenzamide
CID 31289951
2-chloro-N',N'-dimethyl-5-morpholin-4-ylsulfonylbenzohydrazide
CID 9163691
2-chloro-N-methyl-N-(1-methylpiperidin-4-yl)-5-morpholin-4-ylsulfonylbenzamide
CID 2426270
2-chloro-N-(1-methylpiperidin-4-yl)-5-morpholin-4-ylsulfonylbenzamide
CID 50946940
2-chloro-5-(4-methylpiperazin-1-yl)sulfonylbenzoic acid
CID 22012946
N-(4,6-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-morpholin-4-ylsulfonylbenzamide
CID 2159279
2-chloro-N-(3,5-dichlorophenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 26591526
N-(3-methyl-1,3-thiazol-2-ylidene)-4-morpholin-4-yl-3-nitrobenzamide
CID 31288535
2-chloro-4-morpholin-4-ylsulfonylphenol
CID 3821405
2-bromo-5-morpholin-4-ylsulfonylbenzoic acid
CID 802146
2-(methylamino)-5-morpholin-4-ylsulfonylbenzoic acid
CID 103606245

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-methyl-1,3-thiazol-2-ylidene)-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of 2-chloro-N-(3-methyl-1,3-thiazol-2-ylidene)-5-morpholin-4-ylsulfonylbenzamide (CID 24686586) is 2-chloro-N-(3-methyl-1,3-thiazol-2-ylidene)-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for 2-chloro-N-(3-methyl-1,3-thiazol-2-ylidene)-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for 2-chloro-N-(3-methyl-1,3-thiazol-2-ylidene)-5-morpholin-4-ylsulfonylbenzamide is Cn1ccs/c1=N\C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl.
What is the InChIKey of 2-chloro-N-(3-methyl-1,3-thiazol-2-ylidene)-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is WRCYQXPAEYSETJ-ICFOKQHNSA-N. The full InChI is InChI=1S/C15H16ClN3O4S2/c1-18-6-9-24-15(18)17-14(20)12-10-11(2-3-13(12)16)25(21,22)19-4-7-23-8-5-19/h2-3,6,9-10H,4-5,7-8H2,1H3/b17-15-.
What are the key properties of 2-chloro-N-(3-methyl-1,3-thiazol-2-ylidene)-5-morpholin-4-ylsulfonylbenzamide?
2-chloro-N-(3-methyl-1,3-thiazol-2-ylidene)-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 401.90 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-methyl-1,3-thiazol-2-ylidene)-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 24686586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).