CID 11635903

C29H35ClN2O3RhS- — CID 11635903

IUPAC—
SMILESCC1(C)C2CCC1(CS(=O)(=O)N[C@H](c1ccccc1)[C@H](N)c1ccccc1)C(=O)C2.[CH]1[CH][CH][CH][CH]1.[Cl-].[Rh]
InChIInChI=1S/C24H30N2O3S.C5H5.ClH.Rh/c1-23(2)19-13-14-24(23,20(27)15-19)16-30(28,29)26-22(18-11-7-4-8-12-18)21(25)17-9-5-3-6-10-17;1-2-4-5-3-1;;/h3-12,19,21-22,26H,13-16,25H2,1-2H3;1-5H;1H;/p-1/t19?,21-,22-,24?;;;/m1.../s1
InChIKeyHBFWLBGSYFIBCT-DUWMNRLISA-M
MW630.04 g/mol
LogP1.77
Rot. Bonds7

About CID 11635903

CID 11635903 (PubChem CID 11635903) has the molecular formula C29H35ClN2O3RhS- and a molecular weight of 630.04 g/mol.

Molecular Properties

Compound NameCID 11635903
PubChem CID11635903
Molecular FormulaC29H35ClN2O3RhS-
Molecular Weight630.04 g/mol
Exact Mass629.11
IUPAC Name—
SMILESCC1(C)C2CCC1(CS(=O)(=O)N[C@H](c1ccccc1)[C@H](N)c1ccccc1)C(=O)C2.[CH]1[CH][CH][CH][CH]1.[Cl-].[Rh]
InChIInChI=1S/C24H30N2O3S.C5H5.ClH.Rh/c1-23(2)19-13-14-24(23,20(27)15-19)16-30(28,29)26-22(18-11-7-4-8-12-18)21(25)17-9-5-3-6-10-17;1-2-4-5-3-1;;/h3-12,19,21-22,26H,13-16,25H2,1-2H3;1-5H;1H;/p-1/t19?,21-,22-,24?;;;/m1.../s1
InChIKeyHBFWLBGSYFIBCT-DUWMNRLISA-M
XLogP1.77
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500630.04
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 11635903?
The IUPAC name of CID 11635903 (CID 11635903) is not available.
What is the SMILES notation for CID 11635903?
The canonical SMILES for CID 11635903 is CC1(C)C2CCC1(CS(=O)(=O)N[C@H](c1ccccc1)[C@H](N)c1ccccc1)C(=O)C2.[CH]1[CH][CH][CH][CH]1.[Cl-].[Rh].
What is the InChIKey of CID 11635903?
The InChIKey is HBFWLBGSYFIBCT-DUWMNRLISA-M. The full InChI is InChI=1S/C24H30N2O3S.C5H5.ClH.Rh/c1-23(2)19-13-14-24(23,20(27)15-19)16-30(28,29)26-22(18-11-7-4-8-12-18)21(25)17-9-5-3-6-10-17;1-2-4-5-3-1;;/h3-12,19,21-22,26H,13-16,25H2,1-2H3;1-5H;1H;/p-1/t19?,21-,22-,24?;;;/m1.../s1.
What are the key properties of CID 11635903?
CID 11635903 has a molecular weight of 630.04 g/mol, XLogP of 1.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11635903 is sourced from PubChem (CID 11635903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).