4-formyl-N-[4-(methanesulfonamido)phenyl]piperazine-1-carboxamide

C13H18N4O4S — CID 108875353

IUPAC4-formyl-N-[4-(methanesulfonamido)phenyl]piperazine-1-carboxamide
SMILESCS(=O)(=O)Nc1ccc(NC(=O)N2CCN(C=O)CC2)cc1
InChIInChI=1S/C13H18N4O4S/c1-22(20,21)15-12-4-2-11(3-5-12)14-13(19)17-8-6-16(10-18)7-9-17/h2-5,10,15H,6-9H2,1H3,(H,14,19)
InChIKeyRRKWBXSIPNTPCL-UHFFFAOYSA-N
MW326.38 g/mol
LogP0.36
Rot. Bonds4

About 4-formyl-N-[4-(methanesulfonamido)phenyl]piperazine-1-carboxamide

4-formyl-N-[4-(methanesulfonamido)phenyl]piperazine-1-carboxamide (PubChem CID 108875353) has the molecular formula C13H18N4O4S and a molecular weight of 326.38 g/mol. Its IUPAC name is 4-formyl-N-[4-(methanesulfonamido)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-formyl-N-[4-(methanesulfonamido)phenyl]piperazine-1-carboxamide
PubChem CID108875353
Molecular FormulaC13H18N4O4S
Molecular Weight326.38 g/mol
Exact Mass326.10
IUPAC Name4-formyl-N-[4-(methanesulfonamido)phenyl]piperazine-1-carboxamide
SMILESCS(=O)(=O)Nc1ccc(NC(=O)N2CCN(C=O)CC2)cc1
InChIInChI=1S/C13H18N4O4S/c1-22(20,21)15-12-4-2-11(3-5-12)14-13(19)17-8-6-16(10-18)7-9-17/h2-5,10,15H,6-9H2,1H3,(H,14,19)
InChIKeyRRKWBXSIPNTPCL-UHFFFAOYSA-N
XLogP0.36
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-(2-aminoethyl)-N-[4-(methanesulfonamido)phenyl]piperazine-1-carboxamide
CID 108875241
4-formyl-N-(4-phenylphenyl)piperazine-1-carboxamide
CID 23992135
N-(4-cyanophenyl)-4-formylpiperazine-1-carboxamide
CID 23875995
N-(4-ethoxyphenyl)-4-formylpiperazine-1-carboxamide
CID 5177300
4-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]-N-phenylpiperazine-1-carboxamide
CID 67037713
4-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]-N-phenylpiperazine-1-carboxamide;hydrochloride
CID 67037712
1-N,4-N-bis(4-methylphenyl)piperazine-1,4-dicarboxamide
CID 4055899
4-formyl-N-pyridin-3-ylpiperazine-1-carboxamide
CID 110706402
[(2R)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 39907801
N-[2-chloro-4-(4-formylpiperazine-1-carbonyl)phenyl]methanesulfonamide
CID 99956126
N-(4-tert-butylphenyl)-3-(4-formylpiperazin-1-yl)-2,2-dimethyl-3-oxopropanamide
CID 108961098
1-N-methyl-4-N-(4-methylphenyl)piperazine-1,4-dicarboxamide
CID 23990210

Frequently Asked Questions

What is the IUPAC name of 4-formyl-N-[4-(methanesulfonamido)phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-formyl-N-[4-(methanesulfonamido)phenyl]piperazine-1-carboxamide (CID 108875353) is 4-formyl-N-[4-(methanesulfonamido)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-formyl-N-[4-(methanesulfonamido)phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-formyl-N-[4-(methanesulfonamido)phenyl]piperazine-1-carboxamide is CS(=O)(=O)Nc1ccc(NC(=O)N2CCN(C=O)CC2)cc1.
What is the InChIKey of 4-formyl-N-[4-(methanesulfonamido)phenyl]piperazine-1-carboxamide?
The InChIKey is RRKWBXSIPNTPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O4S/c1-22(20,21)15-12-4-2-11(3-5-12)14-13(19)17-8-6-16(10-18)7-9-17/h2-5,10,15H,6-9H2,1H3,(H,14,19).
What are the key properties of 4-formyl-N-[4-(methanesulfonamido)phenyl]piperazine-1-carboxamide?
4-formyl-N-[4-(methanesulfonamido)phenyl]piperazine-1-carboxamide has a molecular weight of 326.38 g/mol, XLogP of 0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-formyl-N-[4-(methanesulfonamido)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 108875353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).