carbon dioxide;N-[1-[(1R)-1-(4-chlorophenyl)-1-(3-phenyl-1H-1,2,4-triazol-5-yl)propyl]indol-4-yl]methanesulfonamide;N-[1-[(1R)-1-(4-chlorophenyl)propyl]indol-4-yl]methanesulfonamide

C45H43Cl2N7O6S2 — CID 176527761

IUPACcarbon dioxide;N-[1-[(1R)-1-(4-chlorophenyl)-1-(3-phenyl-1H-1,2,4-triazol-5-yl)propyl]indol-4-yl]methanesulfonamide;N-[1-[(1R)-1-(4-chlorophenyl)propyl]indol-4-yl]methanesulfonamide
SMILESCC[C@@](c1ccc(Cl)cc1)(c1nc(-c2ccccc2)n[nH]1)n1ccc2c(NS(C)(=O)=O)cccc21.CC[C@H](c1ccc(Cl)cc1)n1ccc2c(NS(C)(=O)=O)cccc21.O=C=O
InChIInChI=1S/C26H24ClN5O2S.C18H19ClN2O2S.CO2/c1-3-26(19-12-14-20(27)15-13-19,25-28-24(29-30-25)18-8-5-4-6-9-18)32-17-16-21-22(31-35(2,33)34)10-7-11-23(21)32;1-3-17(13-7-9-14(19)10-8-13)21-12-11-15-16(20-24(2,22)23)5-4-6-18(15)21;2-1-3/h4-17,31H,3H2,1-2H3,(H,28,29,30);4-12,17,20H,3H2,1-2H3;/t26-;17-;/m11./s1
InChIKeyBXVPGMJNEAVJAS-YPWJVRQPSA-N
MW912.92 g/mol
LogP9.74
Rot. Bonds12

About carbon dioxide;N-[1-[(1R)-1-(4-chlorophenyl)-1-(3-phenyl-1H-1,2,4-triazol-5-yl)propyl]indol-4-yl]methanesulfonamide;N-[1-[(1R)-1-(4-chlorophenyl)propyl]indol-4-yl]methanesulfonamide

carbon dioxide;N-[1-[(1R)-1-(4-chlorophenyl)-1-(3-phenyl-1H-1,2,4-triazol-5-yl)propyl]indol-4-yl]methanesulfonamide;N-[1-[(1R)-1-(4-chlorophenyl)propyl]indol-4-yl]methanesulfonamide (PubChem CID 176527761) has the molecular formula C45H43Cl2N7O6S2 and a molecular weight of 912.92 g/mol. Its IUPAC name is carbon dioxide;N-[1-[(1R)-1-(4-chlorophenyl)-1-(3-phenyl-1H-1,2,4-triazol-5-yl)propyl]indol-4-yl]methanesulfonamide;N-[1-[(1R)-1-(4-chlorophenyl)propyl]indol-4-yl]methanesulfonamide.

Molecular Properties

Compound Namecarbon dioxide;N-[1-[(1R)-1-(4-chlorophenyl)-1-(3-phenyl-1H-1,2,4-triazol-5-yl)propyl]indol-4-yl]methanesulfonamide;N-[1-[(1R)-1-(4-chlorophenyl)propyl]indol-4-yl]methanesulfonamide
PubChem CID176527761
Molecular FormulaC45H43Cl2N7O6S2
Molecular Weight912.92 g/mol
Exact Mass911.21
IUPAC Namecarbon dioxide;N-[1-[(1R)-1-(4-chlorophenyl)-1-(3-phenyl-1H-1,2,4-triazol-5-yl)propyl]indol-4-yl]methanesulfonamide;N-[1-[(1R)-1-(4-chlorophenyl)propyl]indol-4-yl]methanesulfonamide
SMILESCC[C@@](c1ccc(Cl)cc1)(c1nc(-c2ccccc2)n[nH]1)n1ccc2c(NS(C)(=O)=O)cccc21.CC[C@H](c1ccc(Cl)cc1)n1ccc2c(NS(C)(=O)=O)cccc21.O=C=O
InChIInChI=1S/C26H24ClN5O2S.C18H19ClN2O2S.CO2/c1-3-26(19-12-14-20(27)15-13-19,25-28-24(29-30-25)18-8-5-4-6-9-18)32-17-16-21-22(31-35(2,33)34)10-7-11-23(21)32;1-3-17(13-7-9-14(19)10-8-13)21-12-11-15-16(20-24(2,22)23)5-4-6-18(15)21;2-1-3/h4-17,31H,3H2,1-2H3,(H,28,29,30);4-12,17,20H,3H2,1-2H3;/t26-;17-;/m11./s1
InChIKeyBXVPGMJNEAVJAS-YPWJVRQPSA-N
XLogP9.74
TPSA177.91 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500912.92
LogP ≤ 59.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze carbon dioxide;N-[1-[(1R)-1-(4-chlorophenyl)-1-(3-phenyl-1H-1,2,4-triazol-5-yl)propyl]indol-4-yl]methanesulfonamide;N-[1-[(1R)-1-(4-chlorophenyl)propyl]indol-4-yl]methanesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of carbon dioxide;N-[1-[(1R)-1-(4-chlorophenyl)-1-(3-phenyl-1H-1,2,4-triazol-5-yl)propyl]indol-4-yl]methanesulfonamide;N-[1-[(1R)-1-(4-chlorophenyl)propyl]indol-4-yl]methanesulfonamide?
The IUPAC name of carbon dioxide;N-[1-[(1R)-1-(4-chlorophenyl)-1-(3-phenyl-1H-1,2,4-triazol-5-yl)propyl]indol-4-yl]methanesulfonamide;N-[1-[(1R)-1-(4-chlorophenyl)propyl]indol-4-yl]methanesulfonamide (CID 176527761) is carbon dioxide;N-[1-[(1R)-1-(4-chlorophenyl)-1-(3-phenyl-1H-1,2,4-triazol-5-yl)propyl]indol-4-yl]methanesulfonamide;N-[1-[(1R)-1-(4-chlorophenyl)propyl]indol-4-yl]methanesulfonamide.
What is the SMILES notation for carbon dioxide;N-[1-[(1R)-1-(4-chlorophenyl)-1-(3-phenyl-1H-1,2,4-triazol-5-yl)propyl]indol-4-yl]methanesulfonamide;N-[1-[(1R)-1-(4-chlorophenyl)propyl]indol-4-yl]methanesulfonamide?
The canonical SMILES for carbon dioxide;N-[1-[(1R)-1-(4-chlorophenyl)-1-(3-phenyl-1H-1,2,4-triazol-5-yl)propyl]indol-4-yl]methanesulfonamide;N-[1-[(1R)-1-(4-chlorophenyl)propyl]indol-4-yl]methanesulfonamide is CC[C@@](c1ccc(Cl)cc1)(c1nc(-c2ccccc2)n[nH]1)n1ccc2c(NS(C)(=O)=O)cccc21.CC[C@H](c1ccc(Cl)cc1)n1ccc2c(NS(C)(=O)=O)cccc21.O=C=O.
What is the InChIKey of carbon dioxide;N-[1-[(1R)-1-(4-chlorophenyl)-1-(3-phenyl-1H-1,2,4-triazol-5-yl)propyl]indol-4-yl]methanesulfonamide;N-[1-[(1R)-1-(4-chlorophenyl)propyl]indol-4-yl]methanesulfonamide?
The InChIKey is BXVPGMJNEAVJAS-YPWJVRQPSA-N. The full InChI is InChI=1S/C26H24ClN5O2S.C18H19ClN2O2S.CO2/c1-3-26(19-12-14-20(27)15-13-19,25-28-24(29-30-25)18-8-5-4-6-9-18)32-17-16-21-22(31-35(2,33)34)10-7-11-23(21)32;1-3-17(13-7-9-14(19)10-8-13)21-12-11-15-16(20-24(2,22)23)5-4-6-18(15)21;2-1-3/h4-17,31H,3H2,1-2H3,(H,28,29,30);4-12,17,20H,3H2,1-2H3;/t26-;17-;/m11./s1.
What are the key properties of carbon dioxide;N-[1-[(1R)-1-(4-chlorophenyl)-1-(3-phenyl-1H-1,2,4-triazol-5-yl)propyl]indol-4-yl]methanesulfonamide;N-[1-[(1R)-1-(4-chlorophenyl)propyl]indol-4-yl]methanesulfonamide?
carbon dioxide;N-[1-[(1R)-1-(4-chlorophenyl)-1-(3-phenyl-1H-1,2,4-triazol-5-yl)propyl]indol-4-yl]methanesulfonamide;N-[1-[(1R)-1-(4-chlorophenyl)propyl]indol-4-yl]methanesulfonamide has a molecular weight of 912.92 g/mol, XLogP of 9.74, 12 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;N-[1-[(1R)-1-(4-chlorophenyl)-1-(3-phenyl-1H-1,2,4-triazol-5-yl)propyl]indol-4-yl]methanesulfonamide;N-[1-[(1R)-1-(4-chlorophenyl)propyl]indol-4-yl]methanesulfonamide is sourced from PubChem (CID 176527761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).