N-[(4-chlorophenyl)methyl]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfinamide

C25H26ClN3O2S — CID 91049315

IUPACN-[(4-chlorophenyl)methyl]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfinamide
SMILESCN1CCN(C(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(=O)c3ccccc3)cc2)CC1
InChIInChI=1S/C25H26ClN3O2S/c1-27-15-17-28(18-16-27)25(30)21-9-13-23(14-10-21)29(19-20-7-11-22(26)12-8-20)32(31)24-5-3-2-4-6-24/h2-14H,15-19H2,1H3
InChIKeyGCWDXSVIHPSFMF-UHFFFAOYSA-N
MW468.02 g/mol
LogP4.46
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfinamide

N-[(4-chlorophenyl)methyl]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfinamide (PubChem CID 91049315) has the molecular formula C25H26ClN3O2S and a molecular weight of 468.02 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfinamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfinamide
PubChem CID91049315
Molecular FormulaC25H26ClN3O2S
Molecular Weight468.02 g/mol
Exact Mass467.14
IUPAC NameN-[(4-chlorophenyl)methyl]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfinamide
SMILESCN1CCN(C(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(=O)c3ccccc3)cc2)CC1
InChIInChI=1S/C25H26ClN3O2S/c1-27-15-17-28(18-16-27)25(30)21-9-13-23(14-10-21)29(19-20-7-11-22(26)12-8-20)32(31)24-5-3-2-4-6-24/h2-14H,15-19H2,1H3
InChIKeyGCWDXSVIHPSFMF-UHFFFAOYSA-N
XLogP4.46
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.02
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[(4-chlorophenyl)methyl]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfinamide 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-benzyl-4-chloro-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 112759604
N-[4-(4-phenylpiperazine-1-carbonyl)phenyl]-N-(pyridin-3-ylmethyl)benzenesulfinamide
CID 91089522
N-benzyl-N-methyl-4-(4-methylpiperazine-1-carbonyl)benzamide
CID 109046086
4-(4-methylpiperazine-1-carbonyl)benzoic acid;hydrochloride
CID 142705499
[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-[4-(dimethylamino)phenyl]methanone
CID 27799031
N-benzyl-4-(4-methylpiperazine-1-carbonyl)-N-propan-2-ylbenzamide
CID 109046122
2-(4-chlorophenyl)-1-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]ethanone
CID 110365210
(4-methylpiperazin-1-yl)-[4-(phenylsulfanylmethyl)phenyl]methanone
CID 3692173
N-benzyl-1-(4-chlorobenzoyl)-N-methylpiperidine-4-carboxamide
CID 17119215
3-(4-chlorophenyl)-1-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]propan-1-one
CID 108536950
N-benzyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]methanesulfonamide
CID 23770767
N-benzyl-N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]methanesulfonamide
CID 21372396

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfinamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfinamide (CID 91049315) is N-[(4-chlorophenyl)methyl]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfinamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfinamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfinamide is CN1CCN(C(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(=O)c3ccccc3)cc2)CC1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfinamide?
The InChIKey is GCWDXSVIHPSFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN3O2S/c1-27-15-17-28(18-16-27)25(30)21-9-13-23(14-10-21)29(19-20-7-11-22(26)12-8-20)32(31)24-5-3-2-4-6-24/h2-14H,15-19H2,1H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfinamide?
N-[(4-chlorophenyl)methyl]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfinamide has a molecular weight of 468.02 g/mol, XLogP of 4.46, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfinamide is sourced from PubChem (CID 91049315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).