N-[(2-chlorophenyl)methyl]-4-piperazin-1-yl-3-(thiophen-2-ylsulfonylamino)benzamide

C22H23ClN4O3S2 — CID 46333657

IUPACN-[(2-chlorophenyl)methyl]-4-piperazin-1-yl-3-(thiophen-2-ylsulfonylamino)benzamide
SMILESO=C(NCc1ccccc1Cl)c1ccc(N2CCNCC2)c(NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C22H23ClN4O3S2/c23-18-5-2-1-4-17(18)15-25-22(28)16-7-8-20(27-11-9-24-10-12-27)19(14-16)26-32(29,30)21-6-3-13-31-21/h1-8,13-14,24,26H,9-12,15H2,(H,25,28)
InChIKeyPOYXAISMUBJQJC-UHFFFAOYSA-N
MW491.04 g/mol
LogP3.54
Rot. Bonds7

About N-[(2-chlorophenyl)methyl]-4-piperazin-1-yl-3-(thiophen-2-ylsulfonylamino)benzamide

N-[(2-chlorophenyl)methyl]-4-piperazin-1-yl-3-(thiophen-2-ylsulfonylamino)benzamide (PubChem CID 46333657) has the molecular formula C22H23ClN4O3S2 and a molecular weight of 491.04 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-4-piperazin-1-yl-3-(thiophen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-4-piperazin-1-yl-3-(thiophen-2-ylsulfonylamino)benzamide
PubChem CID46333657
Molecular FormulaC22H23ClN4O3S2
Molecular Weight491.04 g/mol
Exact Mass490.09
IUPAC NameN-[(2-chlorophenyl)methyl]-4-piperazin-1-yl-3-(thiophen-2-ylsulfonylamino)benzamide
SMILESO=C(NCc1ccccc1Cl)c1ccc(N2CCNCC2)c(NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C22H23ClN4O3S2/c23-18-5-2-1-4-17(18)15-25-22(28)16-7-8-20(27-11-9-24-10-12-27)19(14-16)26-32(29,30)21-6-3-13-31-21/h1-8,13-14,24,26H,9-12,15H2,(H,25,28)
InChIKeyPOYXAISMUBJQJC-UHFFFAOYSA-N
XLogP3.54
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.04
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-fluorophenyl)methyl]-4-piperazin-1-yl-3-(thiophen-2-ylsulfonylamino)benzamide;2,2,2-trifluoroacetic acid
CID 146059504
N-ethyl-4-piperazin-1-yl-3-(thiophen-2-ylsulfonylamino)benzamide
CID 46333696
N-[(2-chlorophenyl)methyl]-3-[(3-methylphenyl)sulfonylamino]-4-piperazin-1-ylbenzamide;2,2,2-trifluoroacetic acid
CID 146059356
ethyl 4-[4-piperazin-1-yl-3-(thiophen-2-ylsulfonylamino)benzoyl]piperazine-1-carboxylate
CID 46333344
3-[(4-chlorophenyl)sulfonylamino]-4-piperazin-1-yl-N-(pyridin-4-ylmethyl)benzamide
CID 46333589
N-[2-(dimethylamino)ethyl]-N-ethyl-4-piperazin-1-yl-3-(thiophen-2-ylsulfonylamino)benzamide;2,2,2-trifluoroacetic acid
CID 146059051
4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(thiophen-2-ylsulfonylamino)benzoic acid
CID 46291877
3-[(2-fluorophenyl)sulfonylamino]-N-(2-methoxyethyl)-4-piperazin-1-ylbenzamide
CID 46333677
3-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-ethyl-4-piperazin-1-ylbenzamide
CID 46333711
N-[(3-fluorophenyl)methyl]-3-[(4-fluorophenyl)sulfonylamino]-4-piperazin-1-ylbenzamide
CID 46333828
N-benzyl-2-piperazin-1-yl-5-(thiophen-2-ylsulfonylamino)benzamide;2,2,2-trifluoroacetic acid
CID 146062492
N-benzyl-3-[(4-methylphenyl)sulfonylamino]-4-piperazin-1-ylbenzamide;2,2,2-trifluoroacetic acid
CID 146059297

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-4-piperazin-1-yl-3-(thiophen-2-ylsulfonylamino)benzamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-4-piperazin-1-yl-3-(thiophen-2-ylsulfonylamino)benzamide (CID 46333657) is N-[(2-chlorophenyl)methyl]-4-piperazin-1-yl-3-(thiophen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-4-piperazin-1-yl-3-(thiophen-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-4-piperazin-1-yl-3-(thiophen-2-ylsulfonylamino)benzamide is O=C(NCc1ccccc1Cl)c1ccc(N2CCNCC2)c(NS(=O)(=O)c2cccs2)c1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-4-piperazin-1-yl-3-(thiophen-2-ylsulfonylamino)benzamide?
The InChIKey is POYXAISMUBJQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O3S2/c23-18-5-2-1-4-17(18)15-25-22(28)16-7-8-20(27-11-9-24-10-12-27)19(14-16)26-32(29,30)21-6-3-13-31-21/h1-8,13-14,24,26H,9-12,15H2,(H,25,28).
What are the key properties of N-[(2-chlorophenyl)methyl]-4-piperazin-1-yl-3-(thiophen-2-ylsulfonylamino)benzamide?
N-[(2-chlorophenyl)methyl]-4-piperazin-1-yl-3-(thiophen-2-ylsulfonylamino)benzamide has a molecular weight of 491.04 g/mol, XLogP of 3.54, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-4-piperazin-1-yl-3-(thiophen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 46333657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).