N-(4-chlorobenzoyl)-N-methyl-4-sulfamoylpiperazine-1-carboxamide

C13H17ClN4O4S — CID 141002666

IUPACN-(4-chlorobenzoyl)-N-methyl-4-sulfamoylpiperazine-1-carboxamide
SMILESCN(C(=O)c1ccc(Cl)cc1)C(=O)N1CCN(S(N)(=O)=O)CC1
InChIInChI=1S/C13H17ClN4O4S/c1-16(12(19)10-2-4-11(14)5-3-10)13(20)17-6-8-18(9-7-17)23(15,21)22/h2-5H,6-9H2,1H3,(H2,15,21,22)
InChIKeyIGWLAXSMXJQNNB-UHFFFAOYSA-N
MW360.82 g/mol
LogP0.35
Rot. Bonds2

About N-(4-chlorobenzoyl)-N-methyl-4-sulfamoylpiperazine-1-carboxamide

N-(4-chlorobenzoyl)-N-methyl-4-sulfamoylpiperazine-1-carboxamide (PubChem CID 141002666) has the molecular formula C13H17ClN4O4S and a molecular weight of 360.82 g/mol. Its IUPAC name is N-(4-chlorobenzoyl)-N-methyl-4-sulfamoylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorobenzoyl)-N-methyl-4-sulfamoylpiperazine-1-carboxamide
PubChem CID141002666
Molecular FormulaC13H17ClN4O4S
Molecular Weight360.82 g/mol
Exact Mass360.07
IUPAC NameN-(4-chlorobenzoyl)-N-methyl-4-sulfamoylpiperazine-1-carboxamide
SMILESCN(C(=O)c1ccc(Cl)cc1)C(=O)N1CCN(S(N)(=O)=O)CC1
InChIInChI=1S/C13H17ClN4O4S/c1-16(12(19)10-2-4-11(14)5-3-10)13(20)17-6-8-18(9-7-17)23(15,21)22/h2-5H,6-9H2,1H3,(H2,15,21,22)
InChIKeyIGWLAXSMXJQNNB-UHFFFAOYSA-N
XLogP0.35
TPSA104.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.82
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorobenzoyl)-N-methylcarbamoyl chloride
CID 54256213
4-(5-chloro-2-methylbenzoyl)piperazine-1-sulfonamide
CID 115532362
(4-chlorophenyl)-(4-propylsulfonylpiperazin-1-yl)methanone
CID 777474
4-(4-chlorophenyl)sulfonyl-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]piperazine-1-carboxamide
CID 55794689
4-[1-(4-chlorophenyl)ethyl]piperazine-1-sulfonamide
CID 60560934
4-(4-chlorophenyl)sulfonyl-N-[[4-(diethylcarbamoyl)phenyl]methyl]piperazine-1-carboxamide
CID 55795812
4-(4-fluorobenzoyl)piperazine-1-sulfonamide
CID 60734135
4-(4-chlorophenyl)-N-methyl-N-(methylcarbamoyl)piperazine-1-carboxamide
CID 3066937
4-(3-bromo-4-fluorobenzoyl)piperazine-1-sulfonamide
CID 103707230
N-[1-(4-chlorophenyl)ethyl]-N-methyl-4-pyrrolidin-1-ylsulfonylbenzamide
CID 46580547
4-chloro-N-[1-[4-(diethylsulfamoyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 24598469
4-[2-(4-chlorophenyl)-2-oxoethyl]-N,N-diethylpiperazine-1-carboxamide
CID 110358821

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorobenzoyl)-N-methyl-4-sulfamoylpiperazine-1-carboxamide?
The IUPAC name of N-(4-chlorobenzoyl)-N-methyl-4-sulfamoylpiperazine-1-carboxamide (CID 141002666) is N-(4-chlorobenzoyl)-N-methyl-4-sulfamoylpiperazine-1-carboxamide.
What is the SMILES notation for N-(4-chlorobenzoyl)-N-methyl-4-sulfamoylpiperazine-1-carboxamide?
The canonical SMILES for N-(4-chlorobenzoyl)-N-methyl-4-sulfamoylpiperazine-1-carboxamide is CN(C(=O)c1ccc(Cl)cc1)C(=O)N1CCN(S(N)(=O)=O)CC1.
What is the InChIKey of N-(4-chlorobenzoyl)-N-methyl-4-sulfamoylpiperazine-1-carboxamide?
The InChIKey is IGWLAXSMXJQNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4O4S/c1-16(12(19)10-2-4-11(14)5-3-10)13(20)17-6-8-18(9-7-17)23(15,21)22/h2-5H,6-9H2,1H3,(H2,15,21,22).
What are the key properties of N-(4-chlorobenzoyl)-N-methyl-4-sulfamoylpiperazine-1-carboxamide?
N-(4-chlorobenzoyl)-N-methyl-4-sulfamoylpiperazine-1-carboxamide has a molecular weight of 360.82 g/mol, XLogP of 0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorobenzoyl)-N-methyl-4-sulfamoylpiperazine-1-carboxamide is sourced from PubChem (CID 141002666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).