N-[2-[[(E)-3-phenylprop-2-enyl]amino]phenyl]isoquinoline-5-sulfonamide

C24H21N3O2S — CID 15678683

IUPACN-[2-[[(E)-3-phenylprop-2-enyl]amino]phenyl]isoquinoline-5-sulfonamide
SMILESO=S(=O)(Nc1ccccc1NC/C=C/c1ccccc1)c1cccc2cnccc12
InChIInChI=1S/C24H21N3O2S/c28-30(29,24-14-6-11-20-18-25-17-15-21(20)24)27-23-13-5-4-12-22(23)26-16-7-10-19-8-2-1-3-9-19/h1-15,17-18,26-27H,16H2/b10-7+
InChIKeyUOFNUVDBLWPAIR-JXMROGBWSA-N
MW415.52 g/mol
LogP5.16
Rot. Bonds7

About N-[2-[[(E)-3-phenylprop-2-enyl]amino]phenyl]isoquinoline-5-sulfonamide

N-[2-[[(E)-3-phenylprop-2-enyl]amino]phenyl]isoquinoline-5-sulfonamide (PubChem CID 15678683) has the molecular formula C24H21N3O2S and a molecular weight of 415.52 g/mol. Its IUPAC name is N-[2-[[(E)-3-phenylprop-2-enyl]amino]phenyl]isoquinoline-5-sulfonamide.

Molecular Properties

Compound NameN-[2-[[(E)-3-phenylprop-2-enyl]amino]phenyl]isoquinoline-5-sulfonamide
PubChem CID15678683
Molecular FormulaC24H21N3O2S
Molecular Weight415.52 g/mol
Exact Mass415.14
IUPAC NameN-[2-[[(E)-3-phenylprop-2-enyl]amino]phenyl]isoquinoline-5-sulfonamide
SMILESO=S(=O)(Nc1ccccc1NC/C=C/c1ccccc1)c1cccc2cnccc12
InChIInChI=1S/C24H21N3O2S/c28-30(29,24-14-6-11-20-18-25-17-15-21(20)24)27-23-13-5-4-12-22(23)26-16-7-10-19-8-2-1-3-9-19/h1-15,17-18,26-27H,16H2/b10-7+
InChIKeyUOFNUVDBLWPAIR-JXMROGBWSA-N
XLogP5.16
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.52
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[[(E)-3-(4-bromophenyl)prop-2-enyl]amino]ethyl]isoquinoline-5-sulfonamide;dihydrobromide
CID 68606940
2-hydroxy-N-isoquinolin-5-ylbenzenesulfonamide
CID 81235485
N-(4-methyl-3-pyridinyl)naphthalene-1-sulfonamide
CID 115685376
N-[(E)-3-phenylprop-2-enyl]naphthalen-1-amine
CID 7949251
3-(isoquinolin-5-ylsulfonylamino)-2-methylbenzoic acid
CID 131962177
N-[2-(3-naphthalen-1-ylprop-2-enylamino)ethyl]isoquinoline-5-sulfonamide
CID 54425240
N-(2-methylphenyl)isoquinoline-8-sulfonamide
CID 167968996
N-(2-bromo-4-propan-2-ylphenyl)isoquinoline-5-sulfonamide
CID 3573164
N-(6-chloro-2-pyridinyl)isoquinoline-5-sulfonamide
CID 104821384
N-(4-tert-butyl-2-chlorophenyl)isoquinoline-5-sulfonamide
CID 3817645
N-(3,4,5-trifluorophenyl)isoquinoline-5-sulfonamide
CID 25049723
isoquinoline-5-sulfonamide;trihydrochloride
CID 140968257

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(E)-3-phenylprop-2-enyl]amino]phenyl]isoquinoline-5-sulfonamide?
The IUPAC name of N-[2-[[(E)-3-phenylprop-2-enyl]amino]phenyl]isoquinoline-5-sulfonamide (CID 15678683) is N-[2-[[(E)-3-phenylprop-2-enyl]amino]phenyl]isoquinoline-5-sulfonamide.
What is the SMILES notation for N-[2-[[(E)-3-phenylprop-2-enyl]amino]phenyl]isoquinoline-5-sulfonamide?
The canonical SMILES for N-[2-[[(E)-3-phenylprop-2-enyl]amino]phenyl]isoquinoline-5-sulfonamide is O=S(=O)(Nc1ccccc1NC/C=C/c1ccccc1)c1cccc2cnccc12.
What is the InChIKey of N-[2-[[(E)-3-phenylprop-2-enyl]amino]phenyl]isoquinoline-5-sulfonamide?
The InChIKey is UOFNUVDBLWPAIR-JXMROGBWSA-N. The full InChI is InChI=1S/C24H21N3O2S/c28-30(29,24-14-6-11-20-18-25-17-15-21(20)24)27-23-13-5-4-12-22(23)26-16-7-10-19-8-2-1-3-9-19/h1-15,17-18,26-27H,16H2/b10-7+.
What are the key properties of N-[2-[[(E)-3-phenylprop-2-enyl]amino]phenyl]isoquinoline-5-sulfonamide?
N-[2-[[(E)-3-phenylprop-2-enyl]amino]phenyl]isoquinoline-5-sulfonamide has a molecular weight of 415.52 g/mol, XLogP of 5.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(E)-3-phenylprop-2-enyl]amino]phenyl]isoquinoline-5-sulfonamide is sourced from PubChem (CID 15678683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).