2-amino-4,6-dichloro-N-[1,1,1-trifluoro-3-(7-hydroxy-1H-indol-3-yl)propan-2-yl]benzenesulfonamide

C17H14Cl2F3N3O3S — CID 57473995

IUPAC2-amino-4,6-dichloro-N-[1,1,1-trifluoro-3-(7-hydroxy-1H-indol-3-yl)propan-2-yl]benzenesulfonamide
SMILESNc1cc(Cl)cc(Cl)c1S(=O)(=O)NC(Cc1c[nH]c2c(O)cccc12)C(F)(F)F
InChIInChI=1S/C17H14Cl2F3N3O3S/c18-9-5-11(19)16(12(23)6-9)29(27,28)25-14(17(20,21)22)4-8-7-24-15-10(8)2-1-3-13(15)26/h1-3,5-7,14,24-26H,4,23H2
InChIKeyDUBWGSHHMMHFLE-UHFFFAOYSA-N
MW468.28 g/mol
LogP4.21
Rot. Bonds5

About 2-amino-4,6-dichloro-N-[1,1,1-trifluoro-3-(7-hydroxy-1H-indol-3-yl)propan-2-yl]benzenesulfonamide

2-amino-4,6-dichloro-N-[1,1,1-trifluoro-3-(7-hydroxy-1H-indol-3-yl)propan-2-yl]benzenesulfonamide (PubChem CID 57473995) has the molecular formula C17H14Cl2F3N3O3S and a molecular weight of 468.28 g/mol. Its IUPAC name is 2-amino-4,6-dichloro-N-[1,1,1-trifluoro-3-(7-hydroxy-1H-indol-3-yl)propan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4,6-dichloro-N-[1,1,1-trifluoro-3-(7-hydroxy-1H-indol-3-yl)propan-2-yl]benzenesulfonamide
PubChem CID57473995
Molecular FormulaC17H14Cl2F3N3O3S
Molecular Weight468.28 g/mol
Exact Mass467.01
IUPAC Name2-amino-4,6-dichloro-N-[1,1,1-trifluoro-3-(7-hydroxy-1H-indol-3-yl)propan-2-yl]benzenesulfonamide
SMILESNc1cc(Cl)cc(Cl)c1S(=O)(=O)NC(Cc1c[nH]c2c(O)cccc12)C(F)(F)F
InChIInChI=1S/C17H14Cl2F3N3O3S/c18-9-5-11(19)16(12(23)6-9)29(27,28)25-14(17(20,21)22)4-8-7-24-15-10(8)2-1-3-13(15)26/h1-3,5-7,14,24-26H,4,23H2
InChIKeyDUBWGSHHMMHFLE-UHFFFAOYSA-N
XLogP4.21
TPSA108.21 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.28
LogP ≤ 54.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4,6-dibromo-N-[1,1,1-trifluoro-3-(5-methyl-1H-indol-3-yl)propan-2-yl]benzenesulfonamide
CID 57473916
2-amino-4,6-dichloro-N-(4-hydroxybutan-2-yl)benzenesulfonamide
CID 83178059
2-amino-4,6-dichloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide
CID 79248033
1-(7-hydroxy-1H-indol-3-yl)propan-2-ylcarbamic acid
CID 22014780
2,4,6-trimethyl-N-[1,1,1-trifluoro-3-[5-(methylamino)-1H-indol-3-yl]propan-2-yl]benzenesulfonamide
CID 162603823
2-amino-4,6-dichloro-N-(2-iodophenyl)benzenesulfonamide
CID 43256705
dichloromethane;tribromoborane;2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(5-hydroxy-1H-indol-3-yl)propan-2-yl]benzenesulfonamide;2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(5-methoxy-1H-indol-3-yl)propan-2-yl]benzenesulfonamide
CID 159732221
2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(4-phenylmethoxy-1H-indol-3-yl)propan-2-yl]benzenesulfonamide
CID 11684972
2,5-dibromo-3,6-dichloro-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide
CID 10325022
2-amino-4,6-dichloro-N-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethyl]benzenesulfonamide
CID 24960192
3-[(2-chlorophenoxy)methyl]-1H-indol-7-ol
CID 117181875
2-amino-4,6-dichloro-N-(3,5-difluorophenyl)benzenesulfonamide
CID 43256148

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,6-dichloro-N-[1,1,1-trifluoro-3-(7-hydroxy-1H-indol-3-yl)propan-2-yl]benzenesulfonamide?
The IUPAC name of 2-amino-4,6-dichloro-N-[1,1,1-trifluoro-3-(7-hydroxy-1H-indol-3-yl)propan-2-yl]benzenesulfonamide (CID 57473995) is 2-amino-4,6-dichloro-N-[1,1,1-trifluoro-3-(7-hydroxy-1H-indol-3-yl)propan-2-yl]benzenesulfonamide.
What is the SMILES notation for 2-amino-4,6-dichloro-N-[1,1,1-trifluoro-3-(7-hydroxy-1H-indol-3-yl)propan-2-yl]benzenesulfonamide?
The canonical SMILES for 2-amino-4,6-dichloro-N-[1,1,1-trifluoro-3-(7-hydroxy-1H-indol-3-yl)propan-2-yl]benzenesulfonamide is Nc1cc(Cl)cc(Cl)c1S(=O)(=O)NC(Cc1c[nH]c2c(O)cccc12)C(F)(F)F.
What is the InChIKey of 2-amino-4,6-dichloro-N-[1,1,1-trifluoro-3-(7-hydroxy-1H-indol-3-yl)propan-2-yl]benzenesulfonamide?
The InChIKey is DUBWGSHHMMHFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2F3N3O3S/c18-9-5-11(19)16(12(23)6-9)29(27,28)25-14(17(20,21)22)4-8-7-24-15-10(8)2-1-3-13(15)26/h1-3,5-7,14,24-26H,4,23H2.
What are the key properties of 2-amino-4,6-dichloro-N-[1,1,1-trifluoro-3-(7-hydroxy-1H-indol-3-yl)propan-2-yl]benzenesulfonamide?
2-amino-4,6-dichloro-N-[1,1,1-trifluoro-3-(7-hydroxy-1H-indol-3-yl)propan-2-yl]benzenesulfonamide has a molecular weight of 468.28 g/mol, XLogP of 4.21, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,6-dichloro-N-[1,1,1-trifluoro-3-(7-hydroxy-1H-indol-3-yl)propan-2-yl]benzenesulfonamide is sourced from PubChem (CID 57473995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).