N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(3-oxopiperazin-1-yl)acetamide

C14H19ClN4O4S — CID 4965547

IUPACN-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(3-oxopiperazin-1-yl)acetamide
SMILESCN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CN2CCNC(=O)C2)c1
InChIInChI=1S/C14H19ClN4O4S/c1-18(2)24(22,23)10-3-4-11(15)12(7-10)17-14(21)9-19-6-5-16-13(20)8-19/h3-4,7H,5-6,8-9H2,1-2H3,(H,16,20)(H,17,21)
InChIKeyMNXKOZGJABZBQA-UHFFFAOYSA-N
MW374.85 g/mol
LogP-0.04
Rot. Bonds5

About N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(3-oxopiperazin-1-yl)acetamide

N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(3-oxopiperazin-1-yl)acetamide (PubChem CID 4965547) has the molecular formula C14H19ClN4O4S and a molecular weight of 374.85 g/mol. Its IUPAC name is N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(3-oxopiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(3-oxopiperazin-1-yl)acetamide
PubChem CID4965547
Molecular FormulaC14H19ClN4O4S
Molecular Weight374.85 g/mol
Exact Mass374.08
IUPAC NameN-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(3-oxopiperazin-1-yl)acetamide
SMILESCN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CN2CCNC(=O)C2)c1
InChIInChI=1S/C14H19ClN4O4S/c1-18(2)24(22,23)10-3-4-11(15)12(7-10)17-14(21)9-19-6-5-16-13(20)8-19/h3-4,7H,5-6,8-9H2,1-2H3,(H,16,20)(H,17,21)
InChIKeyMNXKOZGJABZBQA-UHFFFAOYSA-N
XLogP-0.04
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.85
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-(3,5-dimethylpiperidin-1-yl)propanamide
CID 4334044
4-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]benzenesulfonamide
CID 4788777
2-(3-acetamidoanilino)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 4847508
N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-(4-ethylpiperazin-1-yl)acetamide;oxalic acid
CID 16244711
N-[4-[[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]sulfamoyl]phenyl]acetamide
CID 16330427
2-{4-[(4-chlorophenyl)sulfonyl]piperazin-1-yl}-N-(2,4-difluorophenyl)acetamide
CID 3245716
2-[Benzenesulfonyl-(4-chloro-phenyl)-amino]-N-ethyl-acetamide
CID 2271056
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 3280480
2-(4-benzylpiperidin-1-yl)-N-[2-chloro-5-(dimethylsulfamoyl)phenyl]acetamide
CID 3516813
N-[5-(azepane-1-sulfonyl)-2-chlorophenyl]-2-chloroacetamide
CID 3688338
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(4-phenylpiperazin-1-yl)acetamide
CID 3954803
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(4-ethylpiperazin-1-yl)acetamide
CID 3962514

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(3-oxopiperazin-1-yl)acetamide?
The IUPAC name of N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(3-oxopiperazin-1-yl)acetamide (CID 4965547) is N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(3-oxopiperazin-1-yl)acetamide.
What is the SMILES notation for N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(3-oxopiperazin-1-yl)acetamide?
The canonical SMILES for N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(3-oxopiperazin-1-yl)acetamide is CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CN2CCNC(=O)C2)c1.
What is the InChIKey of N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(3-oxopiperazin-1-yl)acetamide?
The InChIKey is MNXKOZGJABZBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4O4S/c1-18(2)24(22,23)10-3-4-11(15)12(7-10)17-14(21)9-19-6-5-16-13(20)8-19/h3-4,7H,5-6,8-9H2,1-2H3,(H,16,20)(H,17,21).
What are the key properties of N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(3-oxopiperazin-1-yl)acetamide?
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(3-oxopiperazin-1-yl)acetamide has a molecular weight of 374.85 g/mol, XLogP of -0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(3-oxopiperazin-1-yl)acetamide is sourced from PubChem (CID 4965547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).