2-amino-4,6-dichloro-N-[(2S)-1-(3-cyanoindol-1-yl)butan-2-yl]benzenesulfonamide

C19H18Cl2N4O2S — CID 25205477

IUPAC2-amino-4,6-dichloro-N-[(2S)-1-(3-cyanoindol-1-yl)butan-2-yl]benzenesulfonamide
SMILESCC[C@@H](Cn1cc(C#N)c2ccccc21)NS(=O)(=O)c1c(N)cc(Cl)cc1Cl
InChIInChI=1S/C19H18Cl2N4O2S/c1-2-14(11-25-10-12(9-22)15-5-3-4-6-18(15)25)24-28(26,27)19-16(21)7-13(20)8-17(19)23/h3-8,10,14,24H,2,11,23H2,1H3/t14-/m0/s1
InChIKeyKLTYQAJNDLZNSD-AWEZNQCLSA-N
MW437.35 g/mol
LogP4.16
Rot. Bonds6

About 2-amino-4,6-dichloro-N-[(2S)-1-(3-cyanoindol-1-yl)butan-2-yl]benzenesulfonamide

2-amino-4,6-dichloro-N-[(2S)-1-(3-cyanoindol-1-yl)butan-2-yl]benzenesulfonamide (PubChem CID 25205477) has the molecular formula C19H18Cl2N4O2S and a molecular weight of 437.35 g/mol. Its IUPAC name is 2-amino-4,6-dichloro-N-[(2S)-1-(3-cyanoindol-1-yl)butan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4,6-dichloro-N-[(2S)-1-(3-cyanoindol-1-yl)butan-2-yl]benzenesulfonamide
PubChem CID25205477
Molecular FormulaC19H18Cl2N4O2S
Molecular Weight437.35 g/mol
Exact Mass436.05
IUPAC Name2-amino-4,6-dichloro-N-[(2S)-1-(3-cyanoindol-1-yl)butan-2-yl]benzenesulfonamide
SMILESCC[C@@H](Cn1cc(C#N)c2ccccc21)NS(=O)(=O)c1c(N)cc(Cl)cc1Cl
InChIInChI=1S/C19H18Cl2N4O2S/c1-2-14(11-25-10-12(9-22)15-5-3-4-6-18(15)25)24-28(26,27)19-16(21)7-13(20)8-17(19)23/h3-8,10,14,24H,2,11,23H2,1H3/t14-/m0/s1
InChIKeyKLTYQAJNDLZNSD-AWEZNQCLSA-N
XLogP4.16
TPSA100.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.35
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4,6-dichloro-N-[(2S)-1-(3-cyanoindol-1-yl)butan-2-yl]benzenesulfonamide?
The IUPAC name of 2-amino-4,6-dichloro-N-[(2S)-1-(3-cyanoindol-1-yl)butan-2-yl]benzenesulfonamide (CID 25205477) is 2-amino-4,6-dichloro-N-[(2S)-1-(3-cyanoindol-1-yl)butan-2-yl]benzenesulfonamide.
What is the SMILES notation for 2-amino-4,6-dichloro-N-[(2S)-1-(3-cyanoindol-1-yl)butan-2-yl]benzenesulfonamide?
The canonical SMILES for 2-amino-4,6-dichloro-N-[(2S)-1-(3-cyanoindol-1-yl)butan-2-yl]benzenesulfonamide is CC[C@@H](Cn1cc(C#N)c2ccccc21)NS(=O)(=O)c1c(N)cc(Cl)cc1Cl.
What is the InChIKey of 2-amino-4,6-dichloro-N-[(2S)-1-(3-cyanoindol-1-yl)butan-2-yl]benzenesulfonamide?
The InChIKey is KLTYQAJNDLZNSD-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H18Cl2N4O2S/c1-2-14(11-25-10-12(9-22)15-5-3-4-6-18(15)25)24-28(26,27)19-16(21)7-13(20)8-17(19)23/h3-8,10,14,24H,2,11,23H2,1H3/t14-/m0/s1.
What are the key properties of 2-amino-4,6-dichloro-N-[(2S)-1-(3-cyanoindol-1-yl)butan-2-yl]benzenesulfonamide?
2-amino-4,6-dichloro-N-[(2S)-1-(3-cyanoindol-1-yl)butan-2-yl]benzenesulfonamide has a molecular weight of 437.35 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,6-dichloro-N-[(2S)-1-(3-cyanoindol-1-yl)butan-2-yl]benzenesulfonamide is sourced from PubChem (CID 25205477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).