N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-[5-(2-chlorophenyl)tetrazol-2-yl]acetamide

C19H18Cl2N6O4S — CID 5095332

IUPACN-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-[5-(2-chlorophenyl)tetrazol-2-yl]acetamide
SMILESO=C(Cn1nnc(-c2ccccc2Cl)n1)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C19H18Cl2N6O4S/c20-15-4-2-1-3-14(15)19-23-25-27(24-19)12-18(28)22-13-5-6-16(21)17(11-13)32(29,30)26-7-9-31-10-8-26/h1-6,11H,7-10,12H2,(H,22,28)
InChIKeyLTTKVZXRJDWUJN-UHFFFAOYSA-N
MW497.36 g/mol
LogP2.31
Rot. Bonds6

About N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-[5-(2-chlorophenyl)tetrazol-2-yl]acetamide

N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-[5-(2-chlorophenyl)tetrazol-2-yl]acetamide (PubChem CID 5095332) has the molecular formula C19H18Cl2N6O4S and a molecular weight of 497.36 g/mol. Its IUPAC name is N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-[5-(2-chlorophenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-[5-(2-chlorophenyl)tetrazol-2-yl]acetamide
PubChem CID5095332
Molecular FormulaC19H18Cl2N6O4S
Molecular Weight497.36 g/mol
Exact Mass496.05
IUPAC NameN-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-[5-(2-chlorophenyl)tetrazol-2-yl]acetamide
SMILESO=C(Cn1nnc(-c2ccccc2Cl)n1)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C19H18Cl2N6O4S/c20-15-4-2-1-3-14(15)19-23-25-27(24-19)12-18(28)22-13-5-6-16(21)17(11-13)32(29,30)26-7-9-31-10-8-26/h1-6,11H,7-10,12H2,(H,22,28)
InChIKeyLTTKVZXRJDWUJN-UHFFFAOYSA-N
XLogP2.31
TPSA119.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.36
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-(3,4-dichlorophenyl)acetamide
CID 4597385
N-(3-chloro-4-cyanophenyl)-2-[5-(2-chlorophenyl)tetrazol-2-yl]acetamide
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N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-phenylbenzamide
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N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-(4-chloronaphthalen-1-yl)oxyacetamide
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CID 2107021
3-[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethoxy]benzamide
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N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[5-(2-chlorophenyl)tetrazol-2-yl]acetamide
CID 4304927
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 3948996
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 16517350
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-[5-(2-chlorophenyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-[5-(2-chlorophenyl)tetrazol-2-yl]acetamide (CID 5095332) is N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-[5-(2-chlorophenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-[5-(2-chlorophenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-[5-(2-chlorophenyl)tetrazol-2-yl]acetamide is O=C(Cn1nnc(-c2ccccc2Cl)n1)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-[5-(2-chlorophenyl)tetrazol-2-yl]acetamide?
The InChIKey is LTTKVZXRJDWUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N6O4S/c20-15-4-2-1-3-14(15)19-23-25-27(24-19)12-18(28)22-13-5-6-16(21)17(11-13)32(29,30)26-7-9-31-10-8-26/h1-6,11H,7-10,12H2,(H,22,28).
What are the key properties of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-[5-(2-chlorophenyl)tetrazol-2-yl]acetamide?
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-[5-(2-chlorophenyl)tetrazol-2-yl]acetamide has a molecular weight of 497.36 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-[5-(2-chlorophenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 5095332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).