3-[(4-chlorophenyl)sulfonylamino]-4-piperazin-1-yl-N-(pyridin-4-ylmethyl)benzamide

C23H24ClN5O3S — CID 46333589

IUPAC3-[(4-chlorophenyl)sulfonylamino]-4-piperazin-1-yl-N-(pyridin-4-ylmethyl)benzamide
SMILESO=C(NCc1ccncc1)c1ccc(N2CCNCC2)c(NS(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C23H24ClN5O3S/c24-19-2-4-20(5-3-19)33(31,32)28-21-15-18(1-6-22(21)29-13-11-26-12-14-29)23(30)27-16-17-7-9-25-10-8-17/h1-10,15,26,28H,11-14,16H2,(H,27,30)
InChIKeyHBRPLGZHDQWHAE-UHFFFAOYSA-N
MW486.00 g/mol
LogP2.88
Rot. Bonds7

About 3-[(4-chlorophenyl)sulfonylamino]-4-piperazin-1-yl-N-(pyridin-4-ylmethyl)benzamide

3-[(4-chlorophenyl)sulfonylamino]-4-piperazin-1-yl-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 46333589) has the molecular formula C23H24ClN5O3S and a molecular weight of 486.00 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)sulfonylamino]-4-piperazin-1-yl-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)sulfonylamino]-4-piperazin-1-yl-N-(pyridin-4-ylmethyl)benzamide
PubChem CID46333589
Molecular FormulaC23H24ClN5O3S
Molecular Weight486.00 g/mol
Exact Mass485.13
IUPAC Name3-[(4-chlorophenyl)sulfonylamino]-4-piperazin-1-yl-N-(pyridin-4-ylmethyl)benzamide
SMILESO=C(NCc1ccncc1)c1ccc(N2CCNCC2)c(NS(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C23H24ClN5O3S/c24-19-2-4-20(5-3-19)33(31,32)28-21-15-18(1-6-22(21)29-13-11-26-12-14-29)23(30)27-16-17-7-9-25-10-8-17/h1-10,15,26,28H,11-14,16H2,(H,27,30)
InChIKeyHBRPLGZHDQWHAE-UHFFFAOYSA-N
XLogP2.88
TPSA103.43 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.00
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-fluorophenyl)methyl]-3-[(4-fluorophenyl)sulfonylamino]-4-piperazin-1-ylbenzamide
CID 46333828
3-[(4-chlorophenyl)sulfonylamino]-4-piperazin-1-yl-N-propylbenzamide;2,2,2-trifluoroacetic acid
CID 146059410
N-benzyl-3-[(4-methylphenyl)sulfonylamino]-4-piperazin-1-ylbenzamide;2,2,2-trifluoroacetic acid
CID 146059297
3-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-ethyl-4-piperazin-1-ylbenzamide
CID 46333711
3-[(4-ethylphenyl)sulfonylamino]-4-piperazin-1-yl-N-(pyridin-3-ylmethyl)benzamide;2,2,2-trifluoroacetic acid
CID 146059279
N-ethyl-4-piperazin-1-yl-3-[(4-propan-2-ylphenyl)sulfonylamino]benzamide
CID 46333701
3-[(4-ethylphenyl)sulfonylamino]-4-piperazin-1-yl-N-propylbenzamide
CID 46333732
3-(methanesulfonamido)-4-piperazin-1-yl-N-(pyridin-3-ylmethyl)benzamide
CID 46333576
N-benzyl-3-[(4-ethoxyphenyl)sulfonylamino]-4-piperazin-1-ylbenzamide;2,2,2-trifluoroacetic acid
CID 146059306
3-(methanesulfonamido)-4-piperazin-1-yl-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 46333840
4-chloro-N-[2-piperazin-1-yl-5-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide;2,2,2-trifluoroacetic acid
CID 146058952
3-[(4-cyclohexylphenyl)sulfonylamino]-4-piperazin-1-yl-N-propylbenzamide
CID 46333723

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)sulfonylamino]-4-piperazin-1-yl-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of 3-[(4-chlorophenyl)sulfonylamino]-4-piperazin-1-yl-N-(pyridin-4-ylmethyl)benzamide (CID 46333589) is 3-[(4-chlorophenyl)sulfonylamino]-4-piperazin-1-yl-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for 3-[(4-chlorophenyl)sulfonylamino]-4-piperazin-1-yl-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for 3-[(4-chlorophenyl)sulfonylamino]-4-piperazin-1-yl-N-(pyridin-4-ylmethyl)benzamide is O=C(NCc1ccncc1)c1ccc(N2CCNCC2)c(NS(=O)(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 3-[(4-chlorophenyl)sulfonylamino]-4-piperazin-1-yl-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is HBRPLGZHDQWHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN5O3S/c24-19-2-4-20(5-3-19)33(31,32)28-21-15-18(1-6-22(21)29-13-11-26-12-14-29)23(30)27-16-17-7-9-25-10-8-17/h1-10,15,26,28H,11-14,16H2,(H,27,30).
What are the key properties of 3-[(4-chlorophenyl)sulfonylamino]-4-piperazin-1-yl-N-(pyridin-4-ylmethyl)benzamide?
3-[(4-chlorophenyl)sulfonylamino]-4-piperazin-1-yl-N-(pyridin-4-ylmethyl)benzamide has a molecular weight of 486.00 g/mol, XLogP of 2.88, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)sulfonylamino]-4-piperazin-1-yl-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 46333589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).