2-chloro-N-(2-chloro-4-methylsulfonylbenzoyl)-4-methylsulfonyl-N-(1-methyltetrazol-5-yl)benzamide

C18H15Cl2N5O6S2 — CID 154933055

IUPAC2-chloro-N-(2-chloro-4-methylsulfonylbenzoyl)-4-methylsulfonyl-N-(1-methyltetrazol-5-yl)benzamide
SMILESCn1nnnc1N(C(=O)c1ccc(S(C)(=O)=O)cc1Cl)C(=O)c1ccc(S(C)(=O)=O)cc1Cl
InChIInChI=1S/C18H15Cl2N5O6S2/c1-24-18(21-22-23-24)25(16(26)12-6-4-10(8-14(12)19)32(2,28)29)17(27)13-7-5-11(9-15(13)20)33(3,30)31/h4-9H,1-3H3
InChIKeyMJXGOFVAIWEIQY-UHFFFAOYSA-N
MW532.39 g/mol
LogP1.81
Rot. Bonds5

About 2-chloro-N-(2-chloro-4-methylsulfonylbenzoyl)-4-methylsulfonyl-N-(1-methyltetrazol-5-yl)benzamide

2-chloro-N-(2-chloro-4-methylsulfonylbenzoyl)-4-methylsulfonyl-N-(1-methyltetrazol-5-yl)benzamide (PubChem CID 154933055) has the molecular formula C18H15Cl2N5O6S2 and a molecular weight of 532.39 g/mol. Its IUPAC name is 2-chloro-N-(2-chloro-4-methylsulfonylbenzoyl)-4-methylsulfonyl-N-(1-methyltetrazol-5-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(2-chloro-4-methylsulfonylbenzoyl)-4-methylsulfonyl-N-(1-methyltetrazol-5-yl)benzamide
PubChem CID154933055
Molecular FormulaC18H15Cl2N5O6S2
Molecular Weight532.39 g/mol
Exact Mass530.98
IUPAC Name2-chloro-N-(2-chloro-4-methylsulfonylbenzoyl)-4-methylsulfonyl-N-(1-methyltetrazol-5-yl)benzamide
SMILESCn1nnnc1N(C(=O)c1ccc(S(C)(=O)=O)cc1Cl)C(=O)c1ccc(S(C)(=O)=O)cc1Cl
InChIInChI=1S/C18H15Cl2N5O6S2/c1-24-18(21-22-23-24)25(16(26)12-6-4-10(8-14(12)19)32(2,28)29)17(27)13-7-5-11(9-15(13)20)33(3,30)31/h4-9H,1-3H3
InChIKeyMJXGOFVAIWEIQY-UHFFFAOYSA-N
XLogP1.81
TPSA149.26 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.39
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-chloro-4-methylsulfonylbenzoyl)-4-methylsulfonyl-N-(1-methyltetrazol-5-yl)benzamide?
The IUPAC name of 2-chloro-N-(2-chloro-4-methylsulfonylbenzoyl)-4-methylsulfonyl-N-(1-methyltetrazol-5-yl)benzamide (CID 154933055) is 2-chloro-N-(2-chloro-4-methylsulfonylbenzoyl)-4-methylsulfonyl-N-(1-methyltetrazol-5-yl)benzamide.
What is the SMILES notation for 2-chloro-N-(2-chloro-4-methylsulfonylbenzoyl)-4-methylsulfonyl-N-(1-methyltetrazol-5-yl)benzamide?
The canonical SMILES for 2-chloro-N-(2-chloro-4-methylsulfonylbenzoyl)-4-methylsulfonyl-N-(1-methyltetrazol-5-yl)benzamide is Cn1nnnc1N(C(=O)c1ccc(S(C)(=O)=O)cc1Cl)C(=O)c1ccc(S(C)(=O)=O)cc1Cl.
What is the InChIKey of 2-chloro-N-(2-chloro-4-methylsulfonylbenzoyl)-4-methylsulfonyl-N-(1-methyltetrazol-5-yl)benzamide?
The InChIKey is MJXGOFVAIWEIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N5O6S2/c1-24-18(21-22-23-24)25(16(26)12-6-4-10(8-14(12)19)32(2,28)29)17(27)13-7-5-11(9-15(13)20)33(3,30)31/h4-9H,1-3H3.
What are the key properties of 2-chloro-N-(2-chloro-4-methylsulfonylbenzoyl)-4-methylsulfonyl-N-(1-methyltetrazol-5-yl)benzamide?
2-chloro-N-(2-chloro-4-methylsulfonylbenzoyl)-4-methylsulfonyl-N-(1-methyltetrazol-5-yl)benzamide has a molecular weight of 532.39 g/mol, XLogP of 1.81, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-chloro-4-methylsulfonylbenzoyl)-4-methylsulfonyl-N-(1-methyltetrazol-5-yl)benzamide is sourced from PubChem (CID 154933055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).