6,7-dichloro-2-methyl-1-[3-(sulfonylamino)propyl]-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)indole-3-carboxamide;methane

C24H33Cl2N3O3S — CID 87871380

IUPAC6,7-dichloro-2-methyl-1-[3-(sulfonylamino)propyl]-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)indole-3-carboxamide;methane
SMILESC.Cc1c(C(=O)NC2C3(C)CCC(C3)C2(C)C)c2ccc(Cl)c(Cl)c2n1CCCN=S(=O)=O
InChIInChI=1S/C23H29Cl2N3O3S.CH4/c1-13-17(20(29)27-21-22(2,3)14-8-9-23(21,4)12-14)15-6-7-16(24)18(25)19(15)28(13)11-5-10-26-32(30)31;/h6-7,14,21H,5,8-12H2,1-4H3,(H,27,29);1H4
InChIKeyMUTROFSHOIZWES-UHFFFAOYSA-N
MW514.52 g/mol
LogP6.29
Rot. Bonds6

About 6,7-dichloro-2-methyl-1-[3-(sulfonylamino)propyl]-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)indole-3-carboxamide;methane

6,7-dichloro-2-methyl-1-[3-(sulfonylamino)propyl]-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)indole-3-carboxamide;methane (PubChem CID 87871380) has the molecular formula C24H33Cl2N3O3S and a molecular weight of 514.52 g/mol. Its IUPAC name is 6,7-dichloro-2-methyl-1-[3-(sulfonylamino)propyl]-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)indole-3-carboxamide;methane.

Molecular Properties

Compound Name6,7-dichloro-2-methyl-1-[3-(sulfonylamino)propyl]-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)indole-3-carboxamide;methane
PubChem CID87871380
Molecular FormulaC24H33Cl2N3O3S
Molecular Weight514.52 g/mol
Exact Mass513.16
IUPAC Name6,7-dichloro-2-methyl-1-[3-(sulfonylamino)propyl]-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)indole-3-carboxamide;methane
SMILESC.Cc1c(C(=O)NC2C3(C)CCC(C3)C2(C)C)c2ccc(Cl)c(Cl)c2n1CCCN=S(=O)=O
InChIInChI=1S/C23H29Cl2N3O3S.CH4/c1-13-17(20(29)27-21-22(2,3)14-8-9-23(21,4)12-14)15-6-7-16(24)18(25)19(15)28(13)11-5-10-26-32(30)31;/h6-7,14,21H,5,8-12H2,1-4H3,(H,27,29);1H4
InChIKeyMUTROFSHOIZWES-UHFFFAOYSA-N
XLogP6.29
TPSA80.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.52
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-2-methyl-1-[3-(sulfonylamino)propyl]-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)indole-3-carboxamide;methane?
The IUPAC name of 6,7-dichloro-2-methyl-1-[3-(sulfonylamino)propyl]-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)indole-3-carboxamide;methane (CID 87871380) is 6,7-dichloro-2-methyl-1-[3-(sulfonylamino)propyl]-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)indole-3-carboxamide;methane.
What is the SMILES notation for 6,7-dichloro-2-methyl-1-[3-(sulfonylamino)propyl]-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)indole-3-carboxamide;methane?
The canonical SMILES for 6,7-dichloro-2-methyl-1-[3-(sulfonylamino)propyl]-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)indole-3-carboxamide;methane is C.Cc1c(C(=O)NC2C3(C)CCC(C3)C2(C)C)c2ccc(Cl)c(Cl)c2n1CCCN=S(=O)=O.
What is the InChIKey of 6,7-dichloro-2-methyl-1-[3-(sulfonylamino)propyl]-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)indole-3-carboxamide;methane?
The InChIKey is MUTROFSHOIZWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29Cl2N3O3S.CH4/c1-13-17(20(29)27-21-22(2,3)14-8-9-23(21,4)12-14)15-6-7-16(24)18(25)19(15)28(13)11-5-10-26-32(30)31;/h6-7,14,21H,5,8-12H2,1-4H3,(H,27,29);1H4.
What are the key properties of 6,7-dichloro-2-methyl-1-[3-(sulfonylamino)propyl]-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)indole-3-carboxamide;methane?
6,7-dichloro-2-methyl-1-[3-(sulfonylamino)propyl]-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)indole-3-carboxamide;methane has a molecular weight of 514.52 g/mol, XLogP of 6.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-2-methyl-1-[3-(sulfonylamino)propyl]-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)indole-3-carboxamide;methane is sourced from PubChem (CID 87871380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).