4-chloro-3-(4-methylpiperazin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)benzamide

C18H27ClN4O4S — CID 99969256

IUPAC4-chloro-3-(4-methylpiperazin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)benzamide
SMILESCN1CCN(S(=O)(=O)c2cc(C(=O)NCCN3CCOCC3)ccc2Cl)CC1
InChIInChI=1S/C18H27ClN4O4S/c1-21-6-8-23(9-7-21)28(25,26)17-14-15(2-3-16(17)19)18(24)20-4-5-22-10-12-27-13-11-22/h2-3,14H,4-13H2,1H3,(H,20,24)
InChIKeyRVKAKNCISBRFER-UHFFFAOYSA-N
MW430.96 g/mol
LogP0.34
Rot. Bonds6

About 4-chloro-3-(4-methylpiperazin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)benzamide

4-chloro-3-(4-methylpiperazin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 99969256) has the molecular formula C18H27ClN4O4S and a molecular weight of 430.96 g/mol. Its IUPAC name is 4-chloro-3-(4-methylpiperazin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name4-chloro-3-(4-methylpiperazin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID99969256
Molecular FormulaC18H27ClN4O4S
Molecular Weight430.96 g/mol
Exact Mass430.14
IUPAC Name4-chloro-3-(4-methylpiperazin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)benzamide
SMILESCN1CCN(S(=O)(=O)c2cc(C(=O)NCCN3CCOCC3)ccc2Cl)CC1
InChIInChI=1S/C18H27ClN4O4S/c1-21-6-8-23(9-7-21)28(25,26)17-14-15(2-3-16(17)19)18(24)20-4-5-22-10-12-27-13-11-22/h2-3,14H,4-13H2,1H3,(H,20,24)
InChIKeyRVKAKNCISBRFER-UHFFFAOYSA-N
XLogP0.34
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.96
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-3-(4-methylpiperazin-1-yl)sulfonyl-N-propylbenzamide
CID 70702635
4-chloro-3-(diethylsulfamoyl)-N-(2-morpholin-4-ylethyl)benzamide
CID 2326320
4-chloro-N-(2-piperidin-1-ylethyl)-3-piperidin-1-ylsulfonylbenzamide
CID 55723998
4-chloro-3-(4-methylpiperazin-1-yl)sulfonyl-N-pentylbenzamide
CID 99969242
4-chloro-N-[3-(dimethylamino)propyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 50875412
4-chloro-N-(2-morpholin-4-ium-4-ylethyl)-3-morpholin-4-ylsulfonylbenzamide
CID 7150357
4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 35161549
3-chloro-4-(methanesulfonamido)-N-(2-morpholin-4-ylethyl)benzamide
CID 43910063
4-methoxy-N-[4-(4-methylpiperazin-1-yl)butyl]-3-morpholin-4-ylsulfonylbenzamide
CID 55656696
3,4-dichloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 3328171
4-chloro-N-[3-(4-ethylpiperazin-1-yl)propyl]-3-piperidin-1-ylsulfonylbenzamide
CID 55660146
4-chloro-N-[(3-methylphenyl)methyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 99969266

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(4-methylpiperazin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 4-chloro-3-(4-methylpiperazin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)benzamide (CID 99969256) is 4-chloro-3-(4-methylpiperazin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 4-chloro-3-(4-methylpiperazin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 4-chloro-3-(4-methylpiperazin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)benzamide is CN1CCN(S(=O)(=O)c2cc(C(=O)NCCN3CCOCC3)ccc2Cl)CC1.
What is the InChIKey of 4-chloro-3-(4-methylpiperazin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is RVKAKNCISBRFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN4O4S/c1-21-6-8-23(9-7-21)28(25,26)17-14-15(2-3-16(17)19)18(24)20-4-5-22-10-12-27-13-11-22/h2-3,14H,4-13H2,1H3,(H,20,24).
What are the key properties of 4-chloro-3-(4-methylpiperazin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)benzamide?
4-chloro-3-(4-methylpiperazin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 430.96 g/mol, XLogP of 0.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(4-methylpiperazin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 99969256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).