N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(3-oxopiperazin-1-yl)acetamide

C14H19ClN4O4S — CID 4966182

IUPACN-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(3-oxopiperazin-1-yl)acetamide
SMILESCN(C)S(=O)(=O)c1cc(NC(=O)CN2CCNC(=O)C2)ccc1Cl
InChIInChI=1S/C14H19ClN4O4S/c1-18(2)24(22,23)12-7-10(3-4-11(12)15)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)
InChIKeyZKFJMNRZMDXPRL-UHFFFAOYSA-N
MW374.85 g/mol
LogP-0.04
Rot. Bonds5

About N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(3-oxopiperazin-1-yl)acetamide

N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(3-oxopiperazin-1-yl)acetamide (PubChem CID 4966182) has the molecular formula C14H19ClN4O4S and a molecular weight of 374.85 g/mol. Its IUPAC name is N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(3-oxopiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(3-oxopiperazin-1-yl)acetamide
PubChem CID4966182
Molecular FormulaC14H19ClN4O4S
Molecular Weight374.85 g/mol
Exact Mass374.08
IUPAC NameN-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(3-oxopiperazin-1-yl)acetamide
SMILESCN(C)S(=O)(=O)c1cc(NC(=O)CN2CCNC(=O)C2)ccc1Cl
InChIInChI=1S/C14H19ClN4O4S/c1-18(2)24(22,23)12-7-10(3-4-11(12)15)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)
InChIKeyZKFJMNRZMDXPRL-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

2-chloro-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide
CID 3860347
2-chloro-N-[4-chloro-3-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 138857440
1-(benzenesulfonyl)-N-(4-chlorophenyl)piperidine-2-carboxamide
CID 4001201
2-(3-acetamidoanilino)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 4847508
N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]cyclopropanecarboxamide
CID 4881219
N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-(4-methylpiperazin-1-yl)acetamide;oxalic acid
CID 16243494
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)propanamide
CID 16277945
N-[4-[[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]sulfamoyl]phenyl]acetamide
CID 16330427
N-(3-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 662555
N-(4-chlorophenyl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 129274479
2-[Benzenesulfonyl-(4-chloro-phenyl)-amino]-N-ethyl-acetamide
CID 2271056
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3,4-dichlorophenyl)acetamide
CID 2685618

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(3-oxopiperazin-1-yl)acetamide?
The IUPAC name of N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(3-oxopiperazin-1-yl)acetamide (CID 4966182) is N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(3-oxopiperazin-1-yl)acetamide.
What is the SMILES notation for N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(3-oxopiperazin-1-yl)acetamide?
The canonical SMILES for N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(3-oxopiperazin-1-yl)acetamide is CN(C)S(=O)(=O)c1cc(NC(=O)CN2CCNC(=O)C2)ccc1Cl.
What is the InChIKey of N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(3-oxopiperazin-1-yl)acetamide?
The InChIKey is ZKFJMNRZMDXPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4O4S/c1-18(2)24(22,23)12-7-10(3-4-11(12)15)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-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(3-oxopiperazin-1-yl)acetamide?
N-[4-chloro-3-(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-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(3-oxopiperazin-1-yl)acetamide is sourced from PubChem (CID 4966182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).