2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide

C26H28ClN3O3S — CID 46767015

IUPAC2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
SMILESO=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)NCc1ccc(CN2CCCC2)cc1
InChIInChI=1S/C26H28ClN3O3S/c27-23-7-6-8-24(17-23)30(34(32,33)25-9-2-1-3-10-25)20-26(31)28-18-21-11-13-22(14-12-21)19-29-15-4-5-16-29/h1-3,6-14,17H,4-5,15-16,18-20H2,(H,28,31)
InChIKeyVNYBNWBINGIURV-UHFFFAOYSA-N
MW498.05 g/mol
LogP4.45
Rot. Bonds9

About 2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide

2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide (PubChem CID 46767015) has the molecular formula C26H28ClN3O3S and a molecular weight of 498.05 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
PubChem CID46767015
Molecular FormulaC26H28ClN3O3S
Molecular Weight498.05 g/mol
Exact Mass497.15
IUPAC Name2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
SMILESO=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)NCc1ccc(CN2CCCC2)cc1
InChIInChI=1S/C26H28ClN3O3S/c27-23-7-6-8-24(17-23)30(34(32,33)25-9-2-1-3-10-25)20-26(31)28-18-21-11-13-22(14-12-21)19-29-15-4-5-16-29/h1-3,6-14,17H,4-5,15-16,18-20H2,(H,28,31)
InChIKeyVNYBNWBINGIURV-UHFFFAOYSA-N
XLogP4.45
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.05
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide 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-2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)acetamide
CID 126035646
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 46767534
2-[N-(benzenesulfonyl)-3-methylanilino]-N-[(4-chlorophenyl)methyl]acetamide
CID 26565908
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 92686228
2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 46767051
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]acetamide
CID 43892221
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(2,4-dichlorophenyl)methyl]acetamide
CID 51343291
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-(2-phenylethyl)acetamide
CID 3138284
2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 46767550
2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[(4-chlorophenyl)methyl]acetamide
CID 51345003
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-(furan-2-ylmethyl)acetamide
CID 1337777
2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 46767696

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide (CID 46767015) is 2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide is O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)NCc1ccc(CN2CCCC2)cc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide?
The InChIKey is VNYBNWBINGIURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN3O3S/c27-23-7-6-8-24(17-23)30(34(32,33)25-9-2-1-3-10-25)20-26(31)28-18-21-11-13-22(14-12-21)19-29-15-4-5-16-29/h1-3,6-14,17H,4-5,15-16,18-20H2,(H,28,31).
What are the key properties of 2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide?
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide has a molecular weight of 498.05 g/mol, XLogP of 4.45, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 46767015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).