(2,3-dichlorophenyl)-(5-methyl-6-morpholin-4-ylsulfonylthieno[2,3-b]pyrrol-2-yl)methanone

C18H16Cl2N2O4S2 — CID 50899684

IUPAC(2,3-dichlorophenyl)-(5-methyl-6-morpholin-4-ylsulfonylthieno[2,3-b]pyrrol-2-yl)methanone
SMILESCc1cc2cc(C(=O)c3cccc(Cl)c3Cl)sc2n1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C18H16Cl2N2O4S2/c1-11-9-12-10-15(17(23)13-3-2-4-14(19)16(13)20)27-18(12)22(11)28(24,25)21-5-7-26-8-6-21/h2-4,9-10H,5-8H2,1H3
InChIKeyODMYSMXGZYUNDS-UHFFFAOYSA-N
MW459.38 g/mol
LogP3.97
Rot. Bonds4

About (2,3-dichlorophenyl)-(5-methyl-6-morpholin-4-ylsulfonylthieno[2,3-b]pyrrol-2-yl)methanone

(2,3-dichlorophenyl)-(5-methyl-6-morpholin-4-ylsulfonylthieno[2,3-b]pyrrol-2-yl)methanone (PubChem CID 50899684) has the molecular formula C18H16Cl2N2O4S2 and a molecular weight of 459.38 g/mol. Its IUPAC name is (2,3-dichlorophenyl)-(5-methyl-6-morpholin-4-ylsulfonylthieno[2,3-b]pyrrol-2-yl)methanone.

Molecular Properties

Compound Name(2,3-dichlorophenyl)-(5-methyl-6-morpholin-4-ylsulfonylthieno[2,3-b]pyrrol-2-yl)methanone
PubChem CID50899684
Molecular FormulaC18H16Cl2N2O4S2
Molecular Weight459.38 g/mol
Exact Mass457.99
IUPAC Name(2,3-dichlorophenyl)-(5-methyl-6-morpholin-4-ylsulfonylthieno[2,3-b]pyrrol-2-yl)methanone
SMILESCc1cc2cc(C(=O)c3cccc(Cl)c3Cl)sc2n1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C18H16Cl2N2O4S2/c1-11-9-12-10-15(17(23)13-3-2-4-14(19)16(13)20)27-18(12)22(11)28(24,25)21-5-7-26-8-6-21/h2-4,9-10H,5-8H2,1H3
InChIKeyODMYSMXGZYUNDS-UHFFFAOYSA-N
XLogP3.97
TPSA68.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.38
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl)-(5-methyl-6-morpholin-4-ylsulfonylthieno[2,3-b]pyrrol-2-yl)methanone?
The IUPAC name of (2,3-dichlorophenyl)-(5-methyl-6-morpholin-4-ylsulfonylthieno[2,3-b]pyrrol-2-yl)methanone (CID 50899684) is (2,3-dichlorophenyl)-(5-methyl-6-morpholin-4-ylsulfonylthieno[2,3-b]pyrrol-2-yl)methanone.
What is the SMILES notation for (2,3-dichlorophenyl)-(5-methyl-6-morpholin-4-ylsulfonylthieno[2,3-b]pyrrol-2-yl)methanone?
The canonical SMILES for (2,3-dichlorophenyl)-(5-methyl-6-morpholin-4-ylsulfonylthieno[2,3-b]pyrrol-2-yl)methanone is Cc1cc2cc(C(=O)c3cccc(Cl)c3Cl)sc2n1S(=O)(=O)N1CCOCC1.
What is the InChIKey of (2,3-dichlorophenyl)-(5-methyl-6-morpholin-4-ylsulfonylthieno[2,3-b]pyrrol-2-yl)methanone?
The InChIKey is ODMYSMXGZYUNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2O4S2/c1-11-9-12-10-15(17(23)13-3-2-4-14(19)16(13)20)27-18(12)22(11)28(24,25)21-5-7-26-8-6-21/h2-4,9-10H,5-8H2,1H3.
What are the key properties of (2,3-dichlorophenyl)-(5-methyl-6-morpholin-4-ylsulfonylthieno[2,3-b]pyrrol-2-yl)methanone?
(2,3-dichlorophenyl)-(5-methyl-6-morpholin-4-ylsulfonylthieno[2,3-b]pyrrol-2-yl)methanone has a molecular weight of 459.38 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl)-(5-methyl-6-morpholin-4-ylsulfonylthieno[2,3-b]pyrrol-2-yl)methanone is sourced from PubChem (CID 50899684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).