2-chloro-N,N-bis(2-methoxyethyl)-5-(4-phenylpiperazin-1-yl)sulfonylbenzamide

C23H30ClN3O5S — CID 25408393

IUPAC2-chloro-N,N-bis(2-methoxyethyl)-5-(4-phenylpiperazin-1-yl)sulfonylbenzamide
SMILESCOCCN(CCOC)C(=O)c1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)ccc1Cl
InChIInChI=1S/C23H30ClN3O5S/c1-31-16-14-26(15-17-32-2)23(28)21-18-20(8-9-22(21)24)33(29,30)27-12-10-25(11-13-27)19-6-4-3-5-7-19/h3-9,18H,10-17H2,1-2H3
InChIKeyGUJSHSJDWFBXRC-UHFFFAOYSA-N
MW496.03 g/mol
LogP2.59
Rot. Bonds10

About 2-chloro-N,N-bis(2-methoxyethyl)-5-(4-phenylpiperazin-1-yl)sulfonylbenzamide

2-chloro-N,N-bis(2-methoxyethyl)-5-(4-phenylpiperazin-1-yl)sulfonylbenzamide (PubChem CID 25408393) has the molecular formula C23H30ClN3O5S and a molecular weight of 496.03 g/mol. Its IUPAC name is 2-chloro-N,N-bis(2-methoxyethyl)-5-(4-phenylpiperazin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound Name2-chloro-N,N-bis(2-methoxyethyl)-5-(4-phenylpiperazin-1-yl)sulfonylbenzamide
PubChem CID25408393
Molecular FormulaC23H30ClN3O5S
Molecular Weight496.03 g/mol
Exact Mass495.16
IUPAC Name2-chloro-N,N-bis(2-methoxyethyl)-5-(4-phenylpiperazin-1-yl)sulfonylbenzamide
SMILESCOCCN(CCOC)C(=O)c1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)ccc1Cl
InChIInChI=1S/C23H30ClN3O5S/c1-31-16-14-26(15-17-32-2)23(28)21-18-20(8-9-22(21)24)33(29,30)27-12-10-25(11-13-27)19-6-4-3-5-7-19/h3-9,18H,10-17H2,1-2H3
InChIKeyGUJSHSJDWFBXRC-UHFFFAOYSA-N
XLogP2.59
TPSA79.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.03
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-5-(4-phenylpiperazin-1-yl)sulfonylbenzoate
CID 2369448
2-chloro-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)benzamide
CID 55589971
2-methyl-5-(4-phenylpiperazin-1-yl)sulfonylbenzoic acid
CID 45466358
N-benzyl-N-(2-methoxyethyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 99144006
2-chloro-N-[(4-hydroxyphenyl)methyl]-5-(4-phenylpiperazin-1-yl)sulfonylbenzamide
CID 25360479
2-chloro-N-(4-methylphenyl)-5-(4-phenylpiperazin-1-yl)sulfonylbenzamide
CID 4857710
2-methyl-5-(4-phenylpiperazin-1-yl)sulfonylbenzamide
CID 1216990
2-chloro-N,N-diethyl-5-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 99969320
2-chloro-5-(4-phenylpiperazin-1-yl)sulfonyl-N-pyridin-4-ylbenzamide
CID 24687022
2-chloro-N-ethyl-N-(2-hydroxyethyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 78855508
5-(azepan-1-ylsulfonyl)-2-chloro-N-(2-methoxyethyl)benzamide
CID 46387480
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 24684527

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-bis(2-methoxyethyl)-5-(4-phenylpiperazin-1-yl)sulfonylbenzamide?
The IUPAC name of 2-chloro-N,N-bis(2-methoxyethyl)-5-(4-phenylpiperazin-1-yl)sulfonylbenzamide (CID 25408393) is 2-chloro-N,N-bis(2-methoxyethyl)-5-(4-phenylpiperazin-1-yl)sulfonylbenzamide.
What is the SMILES notation for 2-chloro-N,N-bis(2-methoxyethyl)-5-(4-phenylpiperazin-1-yl)sulfonylbenzamide?
The canonical SMILES for 2-chloro-N,N-bis(2-methoxyethyl)-5-(4-phenylpiperazin-1-yl)sulfonylbenzamide is COCCN(CCOC)C(=O)c1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)ccc1Cl.
What is the InChIKey of 2-chloro-N,N-bis(2-methoxyethyl)-5-(4-phenylpiperazin-1-yl)sulfonylbenzamide?
The InChIKey is GUJSHSJDWFBXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClN3O5S/c1-31-16-14-26(15-17-32-2)23(28)21-18-20(8-9-22(21)24)33(29,30)27-12-10-25(11-13-27)19-6-4-3-5-7-19/h3-9,18H,10-17H2,1-2H3.
What are the key properties of 2-chloro-N,N-bis(2-methoxyethyl)-5-(4-phenylpiperazin-1-yl)sulfonylbenzamide?
2-chloro-N,N-bis(2-methoxyethyl)-5-(4-phenylpiperazin-1-yl)sulfonylbenzamide has a molecular weight of 496.03 g/mol, XLogP of 2.59, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-bis(2-methoxyethyl)-5-(4-phenylpiperazin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 25408393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).