N-[2-[amino(phenyl)methyl]phenyl]hepta-2,4-diene-3-sulfonamide

C20H24N2O2S — CID 91093155

IUPACN-[2-[amino(phenyl)methyl]phenyl]hepta-2,4-diene-3-sulfonamide
SMILESCC=C(C=CCC)S(=O)(=O)Nc1ccccc1C(N)c1ccccc1
InChIInChI=1S/C20H24N2O2S/c1-3-5-13-17(4-2)25(23,24)22-19-15-10-9-14-18(19)20(21)16-11-7-6-8-12-16/h4-15,20,22H,3,21H2,1-2H3
InChIKeyLLRCYNMDIABTTH-UHFFFAOYSA-N
MW356.49 g/mol
LogP4.35
Rot. Bonds7

About N-[2-[amino(phenyl)methyl]phenyl]hepta-2,4-diene-3-sulfonamide

N-[2-[amino(phenyl)methyl]phenyl]hepta-2,4-diene-3-sulfonamide (PubChem CID 91093155) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is N-[2-[amino(phenyl)methyl]phenyl]hepta-2,4-diene-3-sulfonamide.

Molecular Properties

Compound NameN-[2-[amino(phenyl)methyl]phenyl]hepta-2,4-diene-3-sulfonamide
PubChem CID91093155
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC NameN-[2-[amino(phenyl)methyl]phenyl]hepta-2,4-diene-3-sulfonamide
SMILESCC=C(C=CCC)S(=O)(=O)Nc1ccccc1C(N)c1ccccc1
InChIInChI=1S/C20H24N2O2S/c1-3-5-13-17(4-2)25(23,24)22-19-15-10-9-14-18(19)20(21)16-11-7-6-8-12-16/h4-15,20,22H,3,21H2,1-2H3
InChIKeyLLRCYNMDIABTTH-UHFFFAOYSA-N
XLogP4.35
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z,3E)-3-ethylidene-1-phenylhept-4-ene-1,2-diamine
CID 153400130
(E)-1,1-diphenylhex-3-en-2-one
CID 67801120
N'-(2-ethylsulfonylphenyl)-1-phenylethane-1,2-diamine
CID 63120930
(2-methylphenyl)-phenylmethanamine
CID 15254157
3-amino-3-phenylpropanoic acid;methanesulfonic acid
CID 87900838
(3R)-3-amino-3-phenylpropanoic acid;methanesulfonic acid
CID 87900954
N-[2-[chloro(phenyl)methyl]phenyl]-4-methylbenzenesulfonamide
CID 172728368
ethyl (E,5S)-5-amino-5-phenylpent-2-enoate
CID 134945701
(Z)-1-phenylpent-2-en-1-one
CID 91998885
N-[2-(1-hydroxyethyl)phenyl]benzenesulfonamide
CID 43416706
N-[2-(1-aminoethyl)phenyl]-1,1-difluoromethanesulfonamide
CID 43200301
3-amino-1-phenylpentane-1-sulfonic acid
CID 58052680

Frequently Asked Questions

What is the IUPAC name of N-[2-[amino(phenyl)methyl]phenyl]hepta-2,4-diene-3-sulfonamide?
The IUPAC name of N-[2-[amino(phenyl)methyl]phenyl]hepta-2,4-diene-3-sulfonamide (CID 91093155) is N-[2-[amino(phenyl)methyl]phenyl]hepta-2,4-diene-3-sulfonamide.
What is the SMILES notation for N-[2-[amino(phenyl)methyl]phenyl]hepta-2,4-diene-3-sulfonamide?
The canonical SMILES for N-[2-[amino(phenyl)methyl]phenyl]hepta-2,4-diene-3-sulfonamide is CC=C(C=CCC)S(=O)(=O)Nc1ccccc1C(N)c1ccccc1.
What is the InChIKey of N-[2-[amino(phenyl)methyl]phenyl]hepta-2,4-diene-3-sulfonamide?
The InChIKey is LLRCYNMDIABTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-3-5-13-17(4-2)25(23,24)22-19-15-10-9-14-18(19)20(21)16-11-7-6-8-12-16/h4-15,20,22H,3,21H2,1-2H3.
What are the key properties of N-[2-[amino(phenyl)methyl]phenyl]hepta-2,4-diene-3-sulfonamide?
N-[2-[amino(phenyl)methyl]phenyl]hepta-2,4-diene-3-sulfonamide has a molecular weight of 356.49 g/mol, XLogP of 4.35, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[amino(phenyl)methyl]phenyl]hepta-2,4-diene-3-sulfonamide is sourced from PubChem (CID 91093155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).