N-(2-aminoethyl)-4-chloro-N-[2-[[(E)-3-(4-chlorophenyl)prop-2-enyl]amino]phenyl]benzenesulfonamide

C23H23Cl2N3O2S — CID 22452867

IUPACN-(2-aminoethyl)-4-chloro-N-[2-[[(E)-3-(4-chlorophenyl)prop-2-enyl]amino]phenyl]benzenesulfonamide
SMILESNCCN(c1ccccc1NC/C=C/c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C23H23Cl2N3O2S/c24-19-9-7-18(8-10-19)4-3-16-27-22-5-1-2-6-23(22)28(17-15-26)31(29,30)21-13-11-20(25)12-14-21/h1-14,27H,15-17,26H2/b4-3+
InChIKeySHAVBFAYEGFYIO-ONEGZZNKSA-N
MW476.43 g/mol
LogP5.27
Rot. Bonds9

About N-(2-aminoethyl)-4-chloro-N-[2-[[(E)-3-(4-chlorophenyl)prop-2-enyl]amino]phenyl]benzenesulfonamide

N-(2-aminoethyl)-4-chloro-N-[2-[[(E)-3-(4-chlorophenyl)prop-2-enyl]amino]phenyl]benzenesulfonamide (PubChem CID 22452867) has the molecular formula C23H23Cl2N3O2S and a molecular weight of 476.43 g/mol. Its IUPAC name is N-(2-aminoethyl)-4-chloro-N-[2-[[(E)-3-(4-chlorophenyl)prop-2-enyl]amino]phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-4-chloro-N-[2-[[(E)-3-(4-chlorophenyl)prop-2-enyl]amino]phenyl]benzenesulfonamide
PubChem CID22452867
Molecular FormulaC23H23Cl2N3O2S
Molecular Weight476.43 g/mol
Exact Mass475.09
IUPAC NameN-(2-aminoethyl)-4-chloro-N-[2-[[(E)-3-(4-chlorophenyl)prop-2-enyl]amino]phenyl]benzenesulfonamide
SMILESNCCN(c1ccccc1NC/C=C/c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C23H23Cl2N3O2S/c24-19-9-7-18(8-10-19)4-3-16-27-22-5-1-2-6-23(22)28(17-15-26)31(29,30)21-13-11-20(25)12-14-21/h1-14,27H,15-17,26H2/b4-3+
InChIKeySHAVBFAYEGFYIO-ONEGZZNKSA-N
XLogP5.27
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.43
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-aminoethyl)-4-chloro-N-[2-[[(E)-3-(4-chlorophenyl)prop-2-enyl]amino]phenyl]benzenesulfonamide with MolForge

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Related Compounds

N-(2-aminoethyl)-4-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]phenyl]benzenesulfonamide
CID 70158919
3-(N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)propanoic acid
CID 50890531
3-(N-(4-chlorophenyl)sulfonyl-2-propan-2-ylanilino)propanoic acid
CID 50893629
N-[(E)-3-(4-chlorophenyl)prop-2-enyl]-4-methylbenzenesulfonamide
CID 24755429
N-methyl-N-phenyl-4-[[(E)-3-phenylprop-2-enyl]amino]benzenesulfonamide
CID 110827502
(E)-3-(4-chlorophenyl)-N-[[2-[2-hydroxyethyl-(4-methylphenyl)sulfonylamino]phenyl]methyl]-N-methylprop-2-enamide
CID 155553043
2-N-[(E)-3-phenylprop-2-enyl]benzene-1,2-diamine
CID 6508892
4-chloro-N-pentan-3-yl-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide
CID 11632263
3-[N-(benzenesulfonyl)-4-chloroanilino]propanoic acid
CID 50890227
2-[[(E)-3-(4-fluorophenyl)prop-2-enyl]-(4-methylphenyl)sulfonylamino]benzenediazonium
CID 154709950
(Z)-3-(4-chlorophenyl)prop-2-en-1-amine
CID 58952108
4-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)butanoic acid
CID 50890002

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-4-chloro-N-[2-[[(E)-3-(4-chlorophenyl)prop-2-enyl]amino]phenyl]benzenesulfonamide?
The IUPAC name of N-(2-aminoethyl)-4-chloro-N-[2-[[(E)-3-(4-chlorophenyl)prop-2-enyl]amino]phenyl]benzenesulfonamide (CID 22452867) is N-(2-aminoethyl)-4-chloro-N-[2-[[(E)-3-(4-chlorophenyl)prop-2-enyl]amino]phenyl]benzenesulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-4-chloro-N-[2-[[(E)-3-(4-chlorophenyl)prop-2-enyl]amino]phenyl]benzenesulfonamide?
The canonical SMILES for N-(2-aminoethyl)-4-chloro-N-[2-[[(E)-3-(4-chlorophenyl)prop-2-enyl]amino]phenyl]benzenesulfonamide is NCCN(c1ccccc1NC/C=C/c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-(2-aminoethyl)-4-chloro-N-[2-[[(E)-3-(4-chlorophenyl)prop-2-enyl]amino]phenyl]benzenesulfonamide?
The InChIKey is SHAVBFAYEGFYIO-ONEGZZNKSA-N. The full InChI is InChI=1S/C23H23Cl2N3O2S/c24-19-9-7-18(8-10-19)4-3-16-27-22-5-1-2-6-23(22)28(17-15-26)31(29,30)21-13-11-20(25)12-14-21/h1-14,27H,15-17,26H2/b4-3+.
What are the key properties of N-(2-aminoethyl)-4-chloro-N-[2-[[(E)-3-(4-chlorophenyl)prop-2-enyl]amino]phenyl]benzenesulfonamide?
N-(2-aminoethyl)-4-chloro-N-[2-[[(E)-3-(4-chlorophenyl)prop-2-enyl]amino]phenyl]benzenesulfonamide has a molecular weight of 476.43 g/mol, XLogP of 5.27, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-4-chloro-N-[2-[[(E)-3-(4-chlorophenyl)prop-2-enyl]amino]phenyl]benzenesulfonamide is sourced from PubChem (CID 22452867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).