N-benzyl-2-chloro-5-(4-ethylpiperazin-1-yl)sulfonyl-N-methylbenzamide

C21H26ClN3O3S — CID 25161492

IUPACN-benzyl-2-chloro-5-(4-ethylpiperazin-1-yl)sulfonyl-N-methylbenzamide
SMILESCCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)N(C)Cc3ccccc3)c2)CC1
InChIInChI=1S/C21H26ClN3O3S/c1-3-24-11-13-25(14-12-24)29(27,28)18-9-10-20(22)19(15-18)21(26)23(2)16-17-7-5-4-6-8-17/h4-10,15H,3,11-14,16H2,1-2H3
InChIKeyKIPGTEFETMILNY-UHFFFAOYSA-N
MW435.98 g/mol
LogP2.94
Rot. Bonds6

About N-benzyl-2-chloro-5-(4-ethylpiperazin-1-yl)sulfonyl-N-methylbenzamide

N-benzyl-2-chloro-5-(4-ethylpiperazin-1-yl)sulfonyl-N-methylbenzamide (PubChem CID 25161492) has the molecular formula C21H26ClN3O3S and a molecular weight of 435.98 g/mol. Its IUPAC name is N-benzyl-2-chloro-5-(4-ethylpiperazin-1-yl)sulfonyl-N-methylbenzamide.

Molecular Properties

Compound NameN-benzyl-2-chloro-5-(4-ethylpiperazin-1-yl)sulfonyl-N-methylbenzamide
PubChem CID25161492
Molecular FormulaC21H26ClN3O3S
Molecular Weight435.98 g/mol
Exact Mass435.14
IUPAC NameN-benzyl-2-chloro-5-(4-ethylpiperazin-1-yl)sulfonyl-N-methylbenzamide
SMILESCCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)N(C)Cc3ccccc3)c2)CC1
InChIInChI=1S/C21H26ClN3O3S/c1-3-24-11-13-25(14-12-24)29(27,28)18-9-10-20(22)19(15-18)21(26)23(2)16-17-7-5-4-6-8-17/h4-10,15H,3,11-14,16H2,1-2H3
InChIKeyKIPGTEFETMILNY-UHFFFAOYSA-N
XLogP2.94
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.98
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-chloro-5-(4-ethylpiperazin-1-yl)sulfonyl-N-methylbenzamide?
The IUPAC name of N-benzyl-2-chloro-5-(4-ethylpiperazin-1-yl)sulfonyl-N-methylbenzamide (CID 25161492) is N-benzyl-2-chloro-5-(4-ethylpiperazin-1-yl)sulfonyl-N-methylbenzamide.
What is the SMILES notation for N-benzyl-2-chloro-5-(4-ethylpiperazin-1-yl)sulfonyl-N-methylbenzamide?
The canonical SMILES for N-benzyl-2-chloro-5-(4-ethylpiperazin-1-yl)sulfonyl-N-methylbenzamide is CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)N(C)Cc3ccccc3)c2)CC1.
What is the InChIKey of N-benzyl-2-chloro-5-(4-ethylpiperazin-1-yl)sulfonyl-N-methylbenzamide?
The InChIKey is KIPGTEFETMILNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O3S/c1-3-24-11-13-25(14-12-24)29(27,28)18-9-10-20(22)19(15-18)21(26)23(2)16-17-7-5-4-6-8-17/h4-10,15H,3,11-14,16H2,1-2H3.
What are the key properties of N-benzyl-2-chloro-5-(4-ethylpiperazin-1-yl)sulfonyl-N-methylbenzamide?
N-benzyl-2-chloro-5-(4-ethylpiperazin-1-yl)sulfonyl-N-methylbenzamide has a molecular weight of 435.98 g/mol, XLogP of 2.94, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-chloro-5-(4-ethylpiperazin-1-yl)sulfonyl-N-methylbenzamide is sourced from PubChem (CID 25161492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).