N,N-dimethyl-4-[[(4-pyrazol-1-ylphenyl)sulfonylamino]methyl]piperidine-1-sulfonamide

C17H25N5O4S2 — CID 122161875

IUPACN,N-dimethyl-4-[[(4-pyrazol-1-ylphenyl)sulfonylamino]methyl]piperidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC(CNS(=O)(=O)c2ccc(-n3cccn3)cc2)CC1
InChIInChI=1S/C17H25N5O4S2/c1-20(2)28(25,26)21-12-8-15(9-13-21)14-19-27(23,24)17-6-4-16(5-7-17)22-11-3-10-18-22/h3-7,10-11,15,19H,8-9,12-14H2,1-2H3
InChIKeyNFSJGCHVJMYTBC-UHFFFAOYSA-N
MW427.55 g/mol
LogP0.67
Rot. Bonds7

About N,N-dimethyl-4-[[(4-pyrazol-1-ylphenyl)sulfonylamino]methyl]piperidine-1-sulfonamide

N,N-dimethyl-4-[[(4-pyrazol-1-ylphenyl)sulfonylamino]methyl]piperidine-1-sulfonamide (PubChem CID 122161875) has the molecular formula C17H25N5O4S2 and a molecular weight of 427.55 g/mol. Its IUPAC name is N,N-dimethyl-4-[[(4-pyrazol-1-ylphenyl)sulfonylamino]methyl]piperidine-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[[(4-pyrazol-1-ylphenyl)sulfonylamino]methyl]piperidine-1-sulfonamide
PubChem CID122161875
Molecular FormulaC17H25N5O4S2
Molecular Weight427.55 g/mol
Exact Mass427.13
IUPAC NameN,N-dimethyl-4-[[(4-pyrazol-1-ylphenyl)sulfonylamino]methyl]piperidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC(CNS(=O)(=O)c2ccc(-n3cccn3)cc2)CC1
InChIInChI=1S/C17H25N5O4S2/c1-20(2)28(25,26)21-12-8-15(9-13-21)14-19-27(23,24)17-6-4-16(5-7-17)22-11-3-10-18-22/h3-7,10-11,15,19H,8-9,12-14H2,1-2H3
InChIKeyNFSJGCHVJMYTBC-UHFFFAOYSA-N
XLogP0.67
TPSA104.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[(4-cyanophenyl)sulfonylamino]methyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 122161873
N,N-dimethyl-4-[(thiophen-2-ylsulfonylamino)methyl]piperidine-1-sulfonamide
CID 131702793
4-methyl-N-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methyl]benzenesulfonamide
CID 998279
N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 122161874
4-propyl-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide
CID 22205150
N,N-dimethyl-4-propyl-1-(4-pyrazol-1-ylphenyl)sulfonylpyrrolidin-3-amine
CID 78085861
4-[[(4-methoxy-2-methylphenyl)sulfonylamino]methyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 122161855
N-(cyclohexylmethyl)-4-(tetrazol-1-yl)benzenesulfonamide
CID 1451970
4-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 121108130
1-methyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrazole-4-sulfonamide
CID 71806786
2-[[4-(4-pyrazol-1-ylphenyl)phenyl]sulfonylamino]acetic acid
CID 167835860
N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 122352585

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[[(4-pyrazol-1-ylphenyl)sulfonylamino]methyl]piperidine-1-sulfonamide?
The IUPAC name of N,N-dimethyl-4-[[(4-pyrazol-1-ylphenyl)sulfonylamino]methyl]piperidine-1-sulfonamide (CID 122161875) is N,N-dimethyl-4-[[(4-pyrazol-1-ylphenyl)sulfonylamino]methyl]piperidine-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-4-[[(4-pyrazol-1-ylphenyl)sulfonylamino]methyl]piperidine-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-4-[[(4-pyrazol-1-ylphenyl)sulfonylamino]methyl]piperidine-1-sulfonamide is CN(C)S(=O)(=O)N1CCC(CNS(=O)(=O)c2ccc(-n3cccn3)cc2)CC1.
What is the InChIKey of N,N-dimethyl-4-[[(4-pyrazol-1-ylphenyl)sulfonylamino]methyl]piperidine-1-sulfonamide?
The InChIKey is NFSJGCHVJMYTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O4S2/c1-20(2)28(25,26)21-12-8-15(9-13-21)14-19-27(23,24)17-6-4-16(5-7-17)22-11-3-10-18-22/h3-7,10-11,15,19H,8-9,12-14H2,1-2H3.
What are the key properties of N,N-dimethyl-4-[[(4-pyrazol-1-ylphenyl)sulfonylamino]methyl]piperidine-1-sulfonamide?
N,N-dimethyl-4-[[(4-pyrazol-1-ylphenyl)sulfonylamino]methyl]piperidine-1-sulfonamide has a molecular weight of 427.55 g/mol, XLogP of 0.67, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[[(4-pyrazol-1-ylphenyl)sulfonylamino]methyl]piperidine-1-sulfonamide is sourced from PubChem (CID 122161875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).