N-[2-(3,4-dichlorophenoxy)phenyl]-4-[4-[2-(diethylamino)ethyl]piperazine-1-carbonyl]benzenesulfonamide

C29H34Cl2N4O4S — CID 68527399

IUPACN-[2-(3,4-dichlorophenoxy)phenyl]-4-[4-[2-(diethylamino)ethyl]piperazine-1-carbonyl]benzenesulfonamide
SMILESCCN(CC)CCN1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ccccc3Oc3ccc(Cl)c(Cl)c3)cc2)CC1
InChIInChI=1S/C29H34Cl2N4O4S/c1-3-33(4-2)15-16-34-17-19-35(20-18-34)29(36)22-9-12-24(13-10-22)40(37,38)32-27-7-5-6-8-28(27)39-23-11-14-25(30)26(31)21-23/h5-14,21,32H,3-4,15-20H2,1-2H3
InChIKeyLAHPQEAFOYHTRC-UHFFFAOYSA-N
MW605.59 g/mol
LogP5.69
Rot. Bonds11

About N-[2-(3,4-dichlorophenoxy)phenyl]-4-[4-[2-(diethylamino)ethyl]piperazine-1-carbonyl]benzenesulfonamide

N-[2-(3,4-dichlorophenoxy)phenyl]-4-[4-[2-(diethylamino)ethyl]piperazine-1-carbonyl]benzenesulfonamide (PubChem CID 68527399) has the molecular formula C29H34Cl2N4O4S and a molecular weight of 605.59 g/mol. Its IUPAC name is N-[2-(3,4-dichlorophenoxy)phenyl]-4-[4-[2-(diethylamino)ethyl]piperazine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(3,4-dichlorophenoxy)phenyl]-4-[4-[2-(diethylamino)ethyl]piperazine-1-carbonyl]benzenesulfonamide
PubChem CID68527399
Molecular FormulaC29H34Cl2N4O4S
Molecular Weight605.59 g/mol
Exact Mass604.17
IUPAC NameN-[2-(3,4-dichlorophenoxy)phenyl]-4-[4-[2-(diethylamino)ethyl]piperazine-1-carbonyl]benzenesulfonamide
SMILESCCN(CC)CCN1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ccccc3Oc3ccc(Cl)c(Cl)c3)cc2)CC1
InChIInChI=1S/C29H34Cl2N4O4S/c1-3-33(4-2)15-16-34-17-19-35(20-18-34)29(36)22-9-12-24(13-10-22)40(37,38)32-27-7-5-6-8-28(27)39-23-11-14-25(30)26(31)21-23/h5-14,21,32H,3-4,15-20H2,1-2H3
InChIKeyLAHPQEAFOYHTRC-UHFFFAOYSA-N
XLogP5.69
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.59
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(3,4-dichlorophenoxy)phenyl]-4-[4-[2-(diethylamino)ethyl]piperazine-1-carbonyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(3,4-dichlorophenoxy)phenyl]-4-[4-(3-pyrrolidin-1-ylpropyl)-1,4-diazepane-1-carbonyl]benzenesulfonamide
CID 68531721
2-[4-[4-[[2-(3,4-dichlorophenoxy)phenyl]sulfamoyl]benzoyl]piperazin-1-yl]-N-methyl-N-phenylacetamide
CID 68529167
N-[2-(3,4-dichlorophenoxy)phenyl]-4-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide
CID 68533177
4-[[2-(3,4-dichlorophenoxy)phenyl]sulfamoyl]-N-(3-piperidin-1-ylpropyl)benzamide
CID 68529823
N-[2-(2,4-dichlorophenoxy)phenyl]-4-[4-(3-pyrrolidin-1-ylpropyl)piperazine-1-carbonyl]benzenesulfonamide
CID 68531485
N-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-oxoethyl]-4-[(2-phenoxyphenyl)sulfamoyl]benzamide
CID 24986738
ethyl 4-[4-[(2-methoxyphenyl)sulfamoyl]benzoyl]piperazine-1-carboxylate
CID 26680944
4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 55958812
4-[4-(cyclohexylmethyl)-1,4-diazepane-1-carbonyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 55956476
N-(2-methoxyphenyl)-4-(4-methylsulfonyl-1,4-diazepane-1-carbonyl)benzenesulfonamide
CID 43050311
4-[[2-(4-bromophenoxy)phenyl]sulfamoyl]-N-[2-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]ethyl]benzamide
CID 68531751
ethyl 4-[4-[(2,3-dimethylphenyl)sulfamoyl]benzoyl]piperazine-1-carboxylate
CID 43002330

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dichlorophenoxy)phenyl]-4-[4-[2-(diethylamino)ethyl]piperazine-1-carbonyl]benzenesulfonamide?
The IUPAC name of N-[2-(3,4-dichlorophenoxy)phenyl]-4-[4-[2-(diethylamino)ethyl]piperazine-1-carbonyl]benzenesulfonamide (CID 68527399) is N-[2-(3,4-dichlorophenoxy)phenyl]-4-[4-[2-(diethylamino)ethyl]piperazine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(3,4-dichlorophenoxy)phenyl]-4-[4-[2-(diethylamino)ethyl]piperazine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for N-[2-(3,4-dichlorophenoxy)phenyl]-4-[4-[2-(diethylamino)ethyl]piperazine-1-carbonyl]benzenesulfonamide is CCN(CC)CCN1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ccccc3Oc3ccc(Cl)c(Cl)c3)cc2)CC1.
What is the InChIKey of N-[2-(3,4-dichlorophenoxy)phenyl]-4-[4-[2-(diethylamino)ethyl]piperazine-1-carbonyl]benzenesulfonamide?
The InChIKey is LAHPQEAFOYHTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34Cl2N4O4S/c1-3-33(4-2)15-16-34-17-19-35(20-18-34)29(36)22-9-12-24(13-10-22)40(37,38)32-27-7-5-6-8-28(27)39-23-11-14-25(30)26(31)21-23/h5-14,21,32H,3-4,15-20H2,1-2H3.
What are the key properties of N-[2-(3,4-dichlorophenoxy)phenyl]-4-[4-[2-(diethylamino)ethyl]piperazine-1-carbonyl]benzenesulfonamide?
N-[2-(3,4-dichlorophenoxy)phenyl]-4-[4-[2-(diethylamino)ethyl]piperazine-1-carbonyl]benzenesulfonamide has a molecular weight of 605.59 g/mol, XLogP of 5.69, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dichlorophenoxy)phenyl]-4-[4-[2-(diethylamino)ethyl]piperazine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 68527399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).