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8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decane-2-sulfonamide;1-[7-(6-chloro-1H-indazol-4-yl)-2,7-diazaspiro[3.5]nonan-2-yl]ethanone

C31H39Cl2N9O3S — CID 159664648

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decane-2-sulfonamide;1-[7-(6-chloro-1H-indazol-4-yl)-2,7-diazaspiro[3.5]nonan-2-yl]ethanone
SMILESCC(=O)N1CC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)C1.NS(=O)(=O)N1CCC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)C1
InChIInChI=1S/C16H19ClN4O.C15H20ClN5O2S/c1-11(22)21-9-16(10-21)2-4-20(5-3-16)15-7-12(17)6-14-13(15)8-18-19-14;16-11-7-13-12(9-18-19-13)14(8-11)20-4-1-15(2-5-20)3-6-21(10-15)24(17,22)23/h6-8H,2-5,9-10H2,1H3,(H,18,19);7-9H,1-6,10H2,(H,18,19)(H2,17,22,23)
InChIKeyMTGBDGVICRRZDL-UHFFFAOYSA-N
MW688.69 g/mol
LogP4.38
Rot. Bonds3

About 8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decane-2-sulfonamide;1-[7-(6-chloro-1H-indazol-4-yl)-2,7-diazaspiro[3.5]nonan-2-yl]ethanone

8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decane-2-sulfonamide;1-[7-(6-chloro-1H-indazol-4-yl)-2,7-diazaspiro[3.5]nonan-2-yl]ethanone (PubChem CID 159664648) has the molecular formula C31H39Cl2N9O3S and a molecular weight of 688.69 g/mol. Its IUPAC name is 8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decane-2-sulfonamide;1-[7-(6-chloro-1H-indazol-4-yl)-2,7-diazaspiro[3.5]nonan-2-yl]ethanone.

Molecular Properties

Compound Name8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decane-2-sulfonamide;1-[7-(6-chloro-1H-indazol-4-yl)-2,7-diazaspiro[3.5]nonan-2-yl]ethanone
PubChem CID159664648
Molecular FormulaC31H39Cl2N9O3S
Molecular Weight688.69 g/mol
Exact Mass687.23
IUPAC Name8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decane-2-sulfonamide;1-[7-(6-chloro-1H-indazol-4-yl)-2,7-diazaspiro[3.5]nonan-2-yl]ethanone
SMILESCC(=O)N1CC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)C1.NS(=O)(=O)N1CCC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)C1
InChIInChI=1S/C16H19ClN4O.C15H20ClN5O2S/c1-11(22)21-9-16(10-21)2-4-20(5-3-16)15-7-12(17)6-14-13(15)8-18-19-14;16-11-7-13-12(9-18-19-13)14(8-11)20-4-1-15(2-5-20)3-6-21(10-15)24(17,22)23/h6-8H,2-5,9-10H2,1H3,(H,18,19);7-9H,1-6,10H2,(H,18,19)(H2,17,22,23)
InChIKeyMTGBDGVICRRZDL-UHFFFAOYSA-N
XLogP4.38
TPSA147.55 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500688.69
LogP ≤ 54.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decane-2-sulfonamide;1-[7-(6-chloro-1H-indazol-4-yl)-2,7-diazaspiro[3.5]nonan-2-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decane-2-sulfonamide;1-[7-(6-chloro-1H-indazol-4-yl)-2,7-diazaspiro[3.5]nonan-2-yl]ethanone?
The IUPAC name of 8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decane-2-sulfonamide;1-[7-(6-chloro-1H-indazol-4-yl)-2,7-diazaspiro[3.5]nonan-2-yl]ethanone (CID 159664648) is 8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decane-2-sulfonamide;1-[7-(6-chloro-1H-indazol-4-yl)-2,7-diazaspiro[3.5]nonan-2-yl]ethanone.
What is the SMILES notation for 8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decane-2-sulfonamide;1-[7-(6-chloro-1H-indazol-4-yl)-2,7-diazaspiro[3.5]nonan-2-yl]ethanone?
The canonical SMILES for 8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decane-2-sulfonamide;1-[7-(6-chloro-1H-indazol-4-yl)-2,7-diazaspiro[3.5]nonan-2-yl]ethanone is CC(=O)N1CC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)C1.NS(=O)(=O)N1CCC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)C1.
What is the InChIKey of 8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decane-2-sulfonamide;1-[7-(6-chloro-1H-indazol-4-yl)-2,7-diazaspiro[3.5]nonan-2-yl]ethanone?
The InChIKey is MTGBDGVICRRZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O.C15H20ClN5O2S/c1-11(22)21-9-16(10-21)2-4-20(5-3-16)15-7-12(17)6-14-13(15)8-18-19-14;16-11-7-13-12(9-18-19-13)14(8-11)20-4-1-15(2-5-20)3-6-21(10-15)24(17,22)23/h6-8H,2-5,9-10H2,1H3,(H,18,19);7-9H,1-6,10H2,(H,18,19)(H2,17,22,23).
What are the key properties of 8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decane-2-sulfonamide;1-[7-(6-chloro-1H-indazol-4-yl)-2,7-diazaspiro[3.5]nonan-2-yl]ethanone?
8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decane-2-sulfonamide;1-[7-(6-chloro-1H-indazol-4-yl)-2,7-diazaspiro[3.5]nonan-2-yl]ethanone has a molecular weight of 688.69 g/mol, XLogP of 4.38, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decane-2-sulfonamide;1-[7-(6-chloro-1H-indazol-4-yl)-2,7-diazaspiro[3.5]nonan-2-yl]ethanone is sourced from PubChem (CID 159664648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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