N-[1-[4-[[benzyl-(4-chlorophenyl)sulfonylamino]methyl]phenyl]ethenyl]-3-chlorobenzenesulfonamide

C28H24Cl2N2O4S2 — CID 143874400

IUPACN-[1-[4-[[benzyl-(4-chlorophenyl)sulfonylamino]methyl]phenyl]ethenyl]-3-chlorobenzenesulfonamide
SMILESC=C(NS(=O)(=O)c1cccc(Cl)c1)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C28H24Cl2N2O4S2/c1-21(31-37(33,34)28-9-5-8-26(30)18-28)24-12-10-23(11-13-24)20-32(19-22-6-3-2-4-7-22)38(35,36)27-16-14-25(29)15-17-27/h2-18,31H,1,19-20H2
InChIKeyJIRHWUIWLXFNCQ-UHFFFAOYSA-N
MW587.55 g/mol
LogP6.33
Rot. Bonds10

About N-[1-[4-[[benzyl-(4-chlorophenyl)sulfonylamino]methyl]phenyl]ethenyl]-3-chlorobenzenesulfonamide

N-[1-[4-[[benzyl-(4-chlorophenyl)sulfonylamino]methyl]phenyl]ethenyl]-3-chlorobenzenesulfonamide (PubChem CID 143874400) has the molecular formula C28H24Cl2N2O4S2 and a molecular weight of 587.55 g/mol. Its IUPAC name is N-[1-[4-[[benzyl-(4-chlorophenyl)sulfonylamino]methyl]phenyl]ethenyl]-3-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[1-[4-[[benzyl-(4-chlorophenyl)sulfonylamino]methyl]phenyl]ethenyl]-3-chlorobenzenesulfonamide
PubChem CID143874400
Molecular FormulaC28H24Cl2N2O4S2
Molecular Weight587.55 g/mol
Exact Mass586.06
IUPAC NameN-[1-[4-[[benzyl-(4-chlorophenyl)sulfonylamino]methyl]phenyl]ethenyl]-3-chlorobenzenesulfonamide
SMILESC=C(NS(=O)(=O)c1cccc(Cl)c1)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C28H24Cl2N2O4S2/c1-21(31-37(33,34)28-9-5-8-26(30)18-28)24-12-10-23(11-13-24)20-32(19-22-6-3-2-4-7-22)38(35,36)27-16-14-25(29)15-17-27/h2-18,31H,1,19-20H2
InChIKeyJIRHWUIWLXFNCQ-UHFFFAOYSA-N
XLogP6.33
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.55
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-4-chloro-N-[[4-[(propanoylamino)carbamoyl]phenyl]methyl]benzenesulfonamide
CID 26861330
6-[[benzyl-(4-chlorophenyl)sulfonylamino]methyl]-N-[(3-chlorophenyl)methyl]pyridine-3-carboxamide
CID 58128833
3-[benzyl-(4-chlorophenyl)sulfonylamino]propanoic acid
CID 45472536
2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]acetic acid
CID 3926551
N-benzyl-4-chloro-N-(cyanomethyl)benzenesulfonamide
CID 51141061
N,N-dibenzyl-4-[2-(4-chlorophenoxy)acetyl]benzenesulfonamide
CID 18669510
N-benzyl-4-chloro-N-[[4-(3-cyclopropylpropanoyl)phenyl]methyl]benzenesulfonamide
CID 58129138
N-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-4-[[benzyl-(4-chlorophenyl)sulfonylamino]methyl]benzamide
CID 58128877
N-benzyl-4-chloro-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 112759604
4-[[benzyl-(4-chlorophenyl)sulfonylamino]methyl]-N-(2-methylcyclohexyl)benzamide
CID 4964811
2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-(3,5-dichlorophenyl)acetamide
CID 126010858
2-[benzyl-(3-chlorophenyl)sulfonylamino]-N,N-diethylacetamide
CID 7917886

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[[benzyl-(4-chlorophenyl)sulfonylamino]methyl]phenyl]ethenyl]-3-chlorobenzenesulfonamide?
The IUPAC name of N-[1-[4-[[benzyl-(4-chlorophenyl)sulfonylamino]methyl]phenyl]ethenyl]-3-chlorobenzenesulfonamide (CID 143874400) is N-[1-[4-[[benzyl-(4-chlorophenyl)sulfonylamino]methyl]phenyl]ethenyl]-3-chlorobenzenesulfonamide.
What is the SMILES notation for N-[1-[4-[[benzyl-(4-chlorophenyl)sulfonylamino]methyl]phenyl]ethenyl]-3-chlorobenzenesulfonamide?
The canonical SMILES for N-[1-[4-[[benzyl-(4-chlorophenyl)sulfonylamino]methyl]phenyl]ethenyl]-3-chlorobenzenesulfonamide is C=C(NS(=O)(=O)c1cccc(Cl)c1)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[1-[4-[[benzyl-(4-chlorophenyl)sulfonylamino]methyl]phenyl]ethenyl]-3-chlorobenzenesulfonamide?
The InChIKey is JIRHWUIWLXFNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24Cl2N2O4S2/c1-21(31-37(33,34)28-9-5-8-26(30)18-28)24-12-10-23(11-13-24)20-32(19-22-6-3-2-4-7-22)38(35,36)27-16-14-25(29)15-17-27/h2-18,31H,1,19-20H2.
What are the key properties of N-[1-[4-[[benzyl-(4-chlorophenyl)sulfonylamino]methyl]phenyl]ethenyl]-3-chlorobenzenesulfonamide?
N-[1-[4-[[benzyl-(4-chlorophenyl)sulfonylamino]methyl]phenyl]ethenyl]-3-chlorobenzenesulfonamide has a molecular weight of 587.55 g/mol, XLogP of 6.33, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[[benzyl-(4-chlorophenyl)sulfonylamino]methyl]phenyl]ethenyl]-3-chlorobenzenesulfonamide is sourced from PubChem (CID 143874400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).