N-(3-chloro-1H-indol-7-yl)-4-(trifluoromethylsulfonylamino)benzenesulfonamide

C15H11ClF3N3O4S2 — CID 22228577

IUPACN-(3-chloro-1H-indol-7-yl)-4-(trifluoromethylsulfonylamino)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc2c(Cl)c[nH]c12)c1ccc(NS(=O)(=O)C(F)(F)F)cc1
InChIInChI=1S/C15H11ClF3N3O4S2/c16-12-8-20-14-11(12)2-1-3-13(14)22-27(23,24)10-6-4-9(5-7-10)21-28(25,26)15(17,18)19/h1-8,20-22H
InChIKeyNYBSQECEXFSWJC-UHFFFAOYSA-N
MW453.85 g/mol
LogP3.88
Rot. Bonds5

About N-(3-chloro-1H-indol-7-yl)-4-(trifluoromethylsulfonylamino)benzenesulfonamide

N-(3-chloro-1H-indol-7-yl)-4-(trifluoromethylsulfonylamino)benzenesulfonamide (PubChem CID 22228577) has the molecular formula C15H11ClF3N3O4S2 and a molecular weight of 453.85 g/mol. Its IUPAC name is N-(3-chloro-1H-indol-7-yl)-4-(trifluoromethylsulfonylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-chloro-1H-indol-7-yl)-4-(trifluoromethylsulfonylamino)benzenesulfonamide
PubChem CID22228577
Molecular FormulaC15H11ClF3N3O4S2
Molecular Weight453.85 g/mol
Exact Mass452.98
IUPAC NameN-(3-chloro-1H-indol-7-yl)-4-(trifluoromethylsulfonylamino)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc2c(Cl)c[nH]c12)c1ccc(NS(=O)(=O)C(F)(F)F)cc1
InChIInChI=1S/C15H11ClF3N3O4S2/c16-12-8-20-14-11(12)2-1-3-13(14)22-27(23,24)10-6-4-9(5-7-10)21-28(25,26)15(17,18)19/h1-8,20-22H
InChIKeyNYBSQECEXFSWJC-UHFFFAOYSA-N
XLogP3.88
TPSA108.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.85
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-1H-indol-7-yl)-4-(trifluoromethylsulfonylamino)benzenesulfonamide?
The IUPAC name of N-(3-chloro-1H-indol-7-yl)-4-(trifluoromethylsulfonylamino)benzenesulfonamide (CID 22228577) is N-(3-chloro-1H-indol-7-yl)-4-(trifluoromethylsulfonylamino)benzenesulfonamide.
What is the SMILES notation for N-(3-chloro-1H-indol-7-yl)-4-(trifluoromethylsulfonylamino)benzenesulfonamide?
The canonical SMILES for N-(3-chloro-1H-indol-7-yl)-4-(trifluoromethylsulfonylamino)benzenesulfonamide is O=S(=O)(Nc1cccc2c(Cl)c[nH]c12)c1ccc(NS(=O)(=O)C(F)(F)F)cc1.
What is the InChIKey of N-(3-chloro-1H-indol-7-yl)-4-(trifluoromethylsulfonylamino)benzenesulfonamide?
The InChIKey is NYBSQECEXFSWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF3N3O4S2/c16-12-8-20-14-11(12)2-1-3-13(14)22-27(23,24)10-6-4-9(5-7-10)21-28(25,26)15(17,18)19/h1-8,20-22H.
What are the key properties of N-(3-chloro-1H-indol-7-yl)-4-(trifluoromethylsulfonylamino)benzenesulfonamide?
N-(3-chloro-1H-indol-7-yl)-4-(trifluoromethylsulfonylamino)benzenesulfonamide has a molecular weight of 453.85 g/mol, XLogP of 3.88, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-1H-indol-7-yl)-4-(trifluoromethylsulfonylamino)benzenesulfonamide is sourced from PubChem (CID 22228577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).