4-chloro-N-[2-(4-methylpiperazin-1-yl)phenyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide

C23H29ClN4O4S — CID 55541273

IUPAC4-chloro-N-[2-(4-methylpiperazin-1-yl)phenyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
SMILESCN1CCN(c2ccccc2NC(=O)c2ccc(Cl)c(S(=O)(=O)NCC3CCCO3)c2)CC1
InChIInChI=1S/C23H29ClN4O4S/c1-27-10-12-28(13-11-27)21-7-3-2-6-20(21)26-23(29)17-8-9-19(24)22(15-17)33(30,31)25-16-18-5-4-14-32-18/h2-3,6-9,15,18,25H,4-5,10-14,16H2,1H3,(H,26,29)
InChIKeyXXKUWMVIVRUZEO-UHFFFAOYSA-N
MW493.03 g/mol
LogP2.80
Rot. Bonds7

About 4-chloro-N-[2-(4-methylpiperazin-1-yl)phenyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide

4-chloro-N-[2-(4-methylpiperazin-1-yl)phenyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide (PubChem CID 55541273) has the molecular formula C23H29ClN4O4S and a molecular weight of 493.03 g/mol. Its IUPAC name is 4-chloro-N-[2-(4-methylpiperazin-1-yl)phenyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-(4-methylpiperazin-1-yl)phenyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
PubChem CID55541273
Molecular FormulaC23H29ClN4O4S
Molecular Weight493.03 g/mol
Exact Mass492.16
IUPAC Name4-chloro-N-[2-(4-methylpiperazin-1-yl)phenyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
SMILESCN1CCN(c2ccccc2NC(=O)c2ccc(Cl)c(S(=O)(=O)NCC3CCCO3)c2)CC1
InChIInChI=1S/C23H29ClN4O4S/c1-27-10-12-28(13-11-27)21-7-3-2-6-20(21)26-23(29)17-8-9-19(24)22(15-17)33(30,31)25-16-18-5-4-14-32-18/h2-3,6-9,15,18,25H,4-5,10-14,16H2,1H3,(H,26,29)
InChIKeyXXKUWMVIVRUZEO-UHFFFAOYSA-N
XLogP2.80
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.03
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-(2,4-dimethylphenyl)-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 9342591
3-[[(2R)-oxolan-2-yl]methylsulfamoyl]-N-(2-piperidin-1-ylphenyl)benzamide
CID 40847436
4-chloro-N-(5-chloro-2-methoxyphenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 4780486
4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-(1-phenylethyl)benzamide
CID 55346360
4-chloro-N-(3-fluorophenyl)-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 8017104
4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-(1,3-thiazol-2-yl)benzamide
CID 18291900
4-chloro-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzoate
CID 2095487
4-chloro-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 41096601
4-chloro-N-(3,4-difluorophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 46798639
3-[[4-chloro-3-(oxolan-2-ylmethylsulfamoyl)benzoyl]amino]-4-methoxy-N,N-dimethylbenzamide
CID 55983444
N-(2-chlorophenyl)-4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 1428408
4-chloro-N-(3-methylbutyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 46514472

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(4-methylpiperazin-1-yl)phenyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of 4-chloro-N-[2-(4-methylpiperazin-1-yl)phenyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide (CID 55541273) is 4-chloro-N-[2-(4-methylpiperazin-1-yl)phenyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for 4-chloro-N-[2-(4-methylpiperazin-1-yl)phenyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for 4-chloro-N-[2-(4-methylpiperazin-1-yl)phenyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide is CN1CCN(c2ccccc2NC(=O)c2ccc(Cl)c(S(=O)(=O)NCC3CCCO3)c2)CC1.
What is the InChIKey of 4-chloro-N-[2-(4-methylpiperazin-1-yl)phenyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
The InChIKey is XXKUWMVIVRUZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN4O4S/c1-27-10-12-28(13-11-27)21-7-3-2-6-20(21)26-23(29)17-8-9-19(24)22(15-17)33(30,31)25-16-18-5-4-14-32-18/h2-3,6-9,15,18,25H,4-5,10-14,16H2,1H3,(H,26,29).
What are the key properties of 4-chloro-N-[2-(4-methylpiperazin-1-yl)phenyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
4-chloro-N-[2-(4-methylpiperazin-1-yl)phenyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide has a molecular weight of 493.03 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(4-methylpiperazin-1-yl)phenyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 55541273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).