(2-chlorophenyl)-(6-ethylsulfonyl-5-methylthieno[2,3-b]pyrrol-2-yl)methanone

C16H14ClNO3S2 — CID 66900113

IUPAC(2-chlorophenyl)-(6-ethylsulfonyl-5-methylthieno[2,3-b]pyrrol-2-yl)methanone
SMILESCCS(=O)(=O)n1c(C)cc2cc(C(=O)c3ccccc3Cl)sc21
InChIInChI=1S/C16H14ClNO3S2/c1-3-23(20,21)18-10(2)8-11-9-14(22-16(11)18)15(19)12-6-4-5-7-13(12)17/h4-9H,3H2,1-2H3
InChIKeyAFIXCPLIVHINSV-UHFFFAOYSA-N
MW367.88 g/mol
LogP4.09
Rot. Bonds4

About (2-chlorophenyl)-(6-ethylsulfonyl-5-methylthieno[2,3-b]pyrrol-2-yl)methanone

(2-chlorophenyl)-(6-ethylsulfonyl-5-methylthieno[2,3-b]pyrrol-2-yl)methanone (PubChem CID 66900113) has the molecular formula C16H14ClNO3S2 and a molecular weight of 367.88 g/mol. Its IUPAC name is (2-chlorophenyl)-(6-ethylsulfonyl-5-methylthieno[2,3-b]pyrrol-2-yl)methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-(6-ethylsulfonyl-5-methylthieno[2,3-b]pyrrol-2-yl)methanone
PubChem CID66900113
Molecular FormulaC16H14ClNO3S2
Molecular Weight367.88 g/mol
Exact Mass367.01
IUPAC Name(2-chlorophenyl)-(6-ethylsulfonyl-5-methylthieno[2,3-b]pyrrol-2-yl)methanone
SMILESCCS(=O)(=O)n1c(C)cc2cc(C(=O)c3ccccc3Cl)sc21
InChIInChI=1S/C16H14ClNO3S2/c1-3-23(20,21)18-10(2)8-11-9-14(22-16(11)18)15(19)12-6-4-5-7-13(12)17/h4-9H,3H2,1-2H3
InChIKeyAFIXCPLIVHINSV-UHFFFAOYSA-N
XLogP4.09
TPSA56.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

CID 50899490
CID 50899490
CID 50899491
CID 50899491
CID 50899492
CID 50899492
CID 50899585
CID 50899585
CID 50899590
CID 50899590
CID 50899678
CID 50899678
CID 50899680
CID 50899680
CID 50899684
CID 50899684
CID 50899771
CID 50899771
CID 50899772
CID 50899772
CID 53358873
CID 53358873
CID 53358994
CID 53358994

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-(6-ethylsulfonyl-5-methylthieno[2,3-b]pyrrol-2-yl)methanone?
The IUPAC name of (2-chlorophenyl)-(6-ethylsulfonyl-5-methylthieno[2,3-b]pyrrol-2-yl)methanone (CID 66900113) is (2-chlorophenyl)-(6-ethylsulfonyl-5-methylthieno[2,3-b]pyrrol-2-yl)methanone.
What is the SMILES notation for (2-chlorophenyl)-(6-ethylsulfonyl-5-methylthieno[2,3-b]pyrrol-2-yl)methanone?
The canonical SMILES for (2-chlorophenyl)-(6-ethylsulfonyl-5-methylthieno[2,3-b]pyrrol-2-yl)methanone is CCS(=O)(=O)n1c(C)cc2cc(C(=O)c3ccccc3Cl)sc21.
What is the InChIKey of (2-chlorophenyl)-(6-ethylsulfonyl-5-methylthieno[2,3-b]pyrrol-2-yl)methanone?
The InChIKey is AFIXCPLIVHINSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO3S2/c1-3-23(20,21)18-10(2)8-11-9-14(22-16(11)18)15(19)12-6-4-5-7-13(12)17/h4-9H,3H2,1-2H3.
What are the key properties of (2-chlorophenyl)-(6-ethylsulfonyl-5-methylthieno[2,3-b]pyrrol-2-yl)methanone?
(2-chlorophenyl)-(6-ethylsulfonyl-5-methylthieno[2,3-b]pyrrol-2-yl)methanone has a molecular weight of 367.88 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-(6-ethylsulfonyl-5-methylthieno[2,3-b]pyrrol-2-yl)methanone is sourced from PubChem (CID 66900113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).