(4R)-2-(2-chlorophenyl)sulfonyl-4-methoxy-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepine

C15H17ClN2O3S — CID 124797709

IUPAC(4R)-2-(2-chlorophenyl)sulfonyl-4-methoxy-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepine
SMILESCO[C@H]1CN(S(=O)(=O)c2ccccc2Cl)Cc2cccn2C1
InChIInChI=1S/C15H17ClN2O3S/c1-21-13-10-17-8-4-5-12(17)9-18(11-13)22(19,20)15-7-3-2-6-14(15)16/h2-8,13H,9-11H2,1H3/t13-/m1/s1
InChIKeyWFFWCACPZQTGLG-CYBMUJFWSA-N
MW340.83 g/mol
LogP2.36
Rot. Bonds3

About (4R)-2-(2-chlorophenyl)sulfonyl-4-methoxy-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepine

(4R)-2-(2-chlorophenyl)sulfonyl-4-methoxy-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepine (PubChem CID 124797709) has the molecular formula C15H17ClN2O3S and a molecular weight of 340.83 g/mol. Its IUPAC name is (4R)-2-(2-chlorophenyl)sulfonyl-4-methoxy-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepine.

Molecular Properties

Compound Name(4R)-2-(2-chlorophenyl)sulfonyl-4-methoxy-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepine
PubChem CID124797709
Molecular FormulaC15H17ClN2O3S
Molecular Weight340.83 g/mol
Exact Mass340.06
IUPAC Name(4R)-2-(2-chlorophenyl)sulfonyl-4-methoxy-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepine
SMILESCO[C@H]1CN(S(=O)(=O)c2ccccc2Cl)Cc2cccn2C1
InChIInChI=1S/C15H17ClN2O3S/c1-21-13-10-17-8-4-5-12(17)9-18(11-13)22(19,20)15-7-3-2-6-14(15)16/h2-8,13H,9-11H2,1H3/t13-/m1/s1
InChIKeyWFFWCACPZQTGLG-CYBMUJFWSA-N
XLogP2.36
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.83
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-2-(2-chlorophenyl)sulfonyl-4-methoxy-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepine?
The IUPAC name of (4R)-2-(2-chlorophenyl)sulfonyl-4-methoxy-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepine (CID 124797709) is (4R)-2-(2-chlorophenyl)sulfonyl-4-methoxy-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepine.
What is the SMILES notation for (4R)-2-(2-chlorophenyl)sulfonyl-4-methoxy-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepine?
The canonical SMILES for (4R)-2-(2-chlorophenyl)sulfonyl-4-methoxy-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepine is CO[C@H]1CN(S(=O)(=O)c2ccccc2Cl)Cc2cccn2C1.
What is the InChIKey of (4R)-2-(2-chlorophenyl)sulfonyl-4-methoxy-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepine?
The InChIKey is WFFWCACPZQTGLG-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H17ClN2O3S/c1-21-13-10-17-8-4-5-12(17)9-18(11-13)22(19,20)15-7-3-2-6-14(15)16/h2-8,13H,9-11H2,1H3/t13-/m1/s1.
What are the key properties of (4R)-2-(2-chlorophenyl)sulfonyl-4-methoxy-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepine?
(4R)-2-(2-chlorophenyl)sulfonyl-4-methoxy-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepine has a molecular weight of 340.83 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-(2-chlorophenyl)sulfonyl-4-methoxy-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepine is sourced from PubChem (CID 124797709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).