N-[1-(2-amino-2-methylpropyl)indol-6-yl]-3,5-dichlorobenzenesulfonamide

C18H19Cl2N3O2S — CID 175373486

IUPACN-[1-(2-amino-2-methylpropyl)indol-6-yl]-3,5-dichlorobenzenesulfonamide
SMILESCC(C)(N)Cn1ccc2ccc(NS(=O)(=O)c3cc(Cl)cc(Cl)c3)cc21
InChIInChI=1S/C18H19Cl2N3O2S/c1-18(2,21)11-23-6-5-12-3-4-15(10-17(12)23)22-26(24,25)16-8-13(19)7-14(20)9-16/h3-10,22H,11,21H2,1-2H3
InChIKeyJVDAAMHJEXBEMZ-UHFFFAOYSA-N
MW412.34 g/mol
LogP4.49
Rot. Bonds5

About N-[1-(2-amino-2-methylpropyl)indol-6-yl]-3,5-dichlorobenzenesulfonamide

N-[1-(2-amino-2-methylpropyl)indol-6-yl]-3,5-dichlorobenzenesulfonamide (PubChem CID 175373486) has the molecular formula C18H19Cl2N3O2S and a molecular weight of 412.34 g/mol. Its IUPAC name is N-[1-(2-amino-2-methylpropyl)indol-6-yl]-3,5-dichlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(2-amino-2-methylpropyl)indol-6-yl]-3,5-dichlorobenzenesulfonamide
PubChem CID175373486
Molecular FormulaC18H19Cl2N3O2S
Molecular Weight412.34 g/mol
Exact Mass411.06
IUPAC NameN-[1-(2-amino-2-methylpropyl)indol-6-yl]-3,5-dichlorobenzenesulfonamide
SMILESCC(C)(N)Cn1ccc2ccc(NS(=O)(=O)c3cc(Cl)cc(Cl)c3)cc21
InChIInChI=1S/C18H19Cl2N3O2S/c1-18(2,21)11-23-6-5-12-3-4-15(10-17(12)23)22-26(24,25)16-8-13(19)7-14(20)9-16/h3-10,22H,11,21H2,1-2H3
InChIKeyJVDAAMHJEXBEMZ-UHFFFAOYSA-N
XLogP4.49
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.34
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-2-methylpropyl)indol-6-yl]-3,5-dichlorobenzenesulfonamide?
The IUPAC name of N-[1-(2-amino-2-methylpropyl)indol-6-yl]-3,5-dichlorobenzenesulfonamide (CID 175373486) is N-[1-(2-amino-2-methylpropyl)indol-6-yl]-3,5-dichlorobenzenesulfonamide.
What is the SMILES notation for N-[1-(2-amino-2-methylpropyl)indol-6-yl]-3,5-dichlorobenzenesulfonamide?
The canonical SMILES for N-[1-(2-amino-2-methylpropyl)indol-6-yl]-3,5-dichlorobenzenesulfonamide is CC(C)(N)Cn1ccc2ccc(NS(=O)(=O)c3cc(Cl)cc(Cl)c3)cc21.
What is the InChIKey of N-[1-(2-amino-2-methylpropyl)indol-6-yl]-3,5-dichlorobenzenesulfonamide?
The InChIKey is JVDAAMHJEXBEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N3O2S/c1-18(2,21)11-23-6-5-12-3-4-15(10-17(12)23)22-26(24,25)16-8-13(19)7-14(20)9-16/h3-10,22H,11,21H2,1-2H3.
What are the key properties of N-[1-(2-amino-2-methylpropyl)indol-6-yl]-3,5-dichlorobenzenesulfonamide?
N-[1-(2-amino-2-methylpropyl)indol-6-yl]-3,5-dichlorobenzenesulfonamide has a molecular weight of 412.34 g/mol, XLogP of 4.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-2-methylpropyl)indol-6-yl]-3,5-dichlorobenzenesulfonamide is sourced from PubChem (CID 175373486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).