(1-ethyl-2-oxobenzo[cd]indol-6-yl)sulfonyl-(4-methyl-1,3-thiazol-2-yl)azanide

C17H14N3O3S2- — CID 3609602

IUPAC(1-ethyl-2-oxobenzo[cd]indol-6-yl)sulfonyl-(4-methyl-1,3-thiazol-2-yl)azanide
SMILESCCN1C(=O)c2cccc3c(S(=O)(=O)[N-]c4nc(C)cs4)ccc1c23
InChIInChI=1S/C17H14N3O3S2/c1-3-20-13-7-8-14(11-5-4-6-12(15(11)13)16(20)21)25(22,23)19-17-18-10(2)9-24-17/h4-9H,3H2,1-2H3/q-1
InChIKeyHZNIEUVMFVUASV-UHFFFAOYSA-N
MW372.45 g/mol
LogP3.98
Rot. Bonds4

About (1-ethyl-2-oxobenzo[cd]indol-6-yl)sulfonyl-(4-methyl-1,3-thiazol-2-yl)azanide

(1-ethyl-2-oxobenzo[cd]indol-6-yl)sulfonyl-(4-methyl-1,3-thiazol-2-yl)azanide (PubChem CID 3609602) has the molecular formula C17H14N3O3S2- and a molecular weight of 372.45 g/mol. Its IUPAC name is (1-ethyl-2-oxobenzo[cd]indol-6-yl)sulfonyl-(4-methyl-1,3-thiazol-2-yl)azanide.

Molecular Properties

Compound Name(1-ethyl-2-oxobenzo[cd]indol-6-yl)sulfonyl-(4-methyl-1,3-thiazol-2-yl)azanide
PubChem CID3609602
Molecular FormulaC17H14N3O3S2-
Molecular Weight372.45 g/mol
Exact Mass372.05
IUPAC Name(1-ethyl-2-oxobenzo[cd]indol-6-yl)sulfonyl-(4-methyl-1,3-thiazol-2-yl)azanide
SMILESCCN1C(=O)c2cccc3c(S(=O)(=O)[N-]c4nc(C)cs4)ccc1c23
InChIInChI=1S/C17H14N3O3S2/c1-3-20-13-7-8-14(11-5-4-6-12(15(11)13)16(20)21)25(22,23)19-17-18-10(2)9-24-17/h4-9H,3H2,1-2H3/q-1
InChIKeyHZNIEUVMFVUASV-UHFFFAOYSA-N
XLogP3.98
TPSA81.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-ethyl-2-oxobenzo[cd]indol-6-yl)sulfonyl-(4-methyl-1,3-thiazol-2-yl)azanide?
The IUPAC name of (1-ethyl-2-oxobenzo[cd]indol-6-yl)sulfonyl-(4-methyl-1,3-thiazol-2-yl)azanide (CID 3609602) is (1-ethyl-2-oxobenzo[cd]indol-6-yl)sulfonyl-(4-methyl-1,3-thiazol-2-yl)azanide.
What is the SMILES notation for (1-ethyl-2-oxobenzo[cd]indol-6-yl)sulfonyl-(4-methyl-1,3-thiazol-2-yl)azanide?
The canonical SMILES for (1-ethyl-2-oxobenzo[cd]indol-6-yl)sulfonyl-(4-methyl-1,3-thiazol-2-yl)azanide is CCN1C(=O)c2cccc3c(S(=O)(=O)[N-]c4nc(C)cs4)ccc1c23.
What is the InChIKey of (1-ethyl-2-oxobenzo[cd]indol-6-yl)sulfonyl-(4-methyl-1,3-thiazol-2-yl)azanide?
The InChIKey is HZNIEUVMFVUASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N3O3S2/c1-3-20-13-7-8-14(11-5-4-6-12(15(11)13)16(20)21)25(22,23)19-17-18-10(2)9-24-17/h4-9H,3H2,1-2H3/q-1.
What are the key properties of (1-ethyl-2-oxobenzo[cd]indol-6-yl)sulfonyl-(4-methyl-1,3-thiazol-2-yl)azanide?
(1-ethyl-2-oxobenzo[cd]indol-6-yl)sulfonyl-(4-methyl-1,3-thiazol-2-yl)azanide has a molecular weight of 372.45 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-2-oxobenzo[cd]indol-6-yl)sulfonyl-(4-methyl-1,3-thiazol-2-yl)azanide is sourced from PubChem (CID 3609602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).