N,N-dimethyl-4-[4-(1-methylpyrazol-3-yl)piperidine-1-carbonyl]benzenesulfonamide

C18H24N4O3S — CID 121021010

IUPACN,N-dimethyl-4-[4-(1-methylpyrazol-3-yl)piperidine-1-carbonyl]benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)N2CCC(c3ccn(C)n3)CC2)cc1
InChIInChI=1S/C18H24N4O3S/c1-20(2)26(24,25)16-6-4-15(5-7-16)18(23)22-12-8-14(9-13-22)17-10-11-21(3)19-17/h4-7,10-11,14H,8-9,12-13H2,1-3H3
InChIKeyJQQZMWUKLGOOIU-UHFFFAOYSA-N
MW376.48 g/mol
LogP1.69
Rot. Bonds4

About N,N-dimethyl-4-[4-(1-methylpyrazol-3-yl)piperidine-1-carbonyl]benzenesulfonamide

N,N-dimethyl-4-[4-(1-methylpyrazol-3-yl)piperidine-1-carbonyl]benzenesulfonamide (PubChem CID 121021010) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is N,N-dimethyl-4-[4-(1-methylpyrazol-3-yl)piperidine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[4-(1-methylpyrazol-3-yl)piperidine-1-carbonyl]benzenesulfonamide
PubChem CID121021010
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC NameN,N-dimethyl-4-[4-(1-methylpyrazol-3-yl)piperidine-1-carbonyl]benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)N2CCC(c3ccn(C)n3)CC2)cc1
InChIInChI=1S/C18H24N4O3S/c1-20(2)26(24,25)16-6-4-15(5-7-16)18(23)22-12-8-14(9-13-22)17-10-11-21(3)19-17/h4-7,10-11,14H,8-9,12-13H2,1-3H3
InChIKeyJQQZMWUKLGOOIU-UHFFFAOYSA-N
XLogP1.69
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)-N,N-dimethylbenzenesulfonamide
CID 119103032
methyl 1-[4-(dimethylsulfamoyl)benzoyl]piperidine-4-carboxylate
CID 51153899
N,N-dimethyl-4-(4-oxopiperidine-1-carbonyl)benzenesulfonamide
CID 2556261
1-[4-(dimethylsulfamoyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 119354199
4-(4-cyclopentylpiperazine-1-carbonyl)-N,N-dimethylbenzenesulfonamide
CID 113073023
4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl]-N,N-dimethylbenzenesulfonamide
CID 8803174
N,N-dimethyl-4-[4-[(2S)-oxolane-2-carbonyl]piperazine-1-carbonyl]benzenesulfonamide
CID 8933051
4-(4-benzylpiperidine-1-carbonyl)-N,N-dimethylbenzenesulfonamide
CID 9414267
4-[4-[(2-ethylimidazol-1-yl)methyl]piperidine-1-carbonyl]-N,N-dimethylbenzenesulfonamide
CID 90493306
4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N,N-dimethylbenzenesulfonamide
CID 34472481
(2,5-dimethylfuran-3-yl)-[4-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone
CID 121021012
4-[3-(cyclopropylmethoxy)pyrrolidine-1-carbonyl]-N,N-dimethylbenzenesulfonamide
CID 121197435

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[4-(1-methylpyrazol-3-yl)piperidine-1-carbonyl]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-4-[4-(1-methylpyrazol-3-yl)piperidine-1-carbonyl]benzenesulfonamide (CID 121021010) is N,N-dimethyl-4-[4-(1-methylpyrazol-3-yl)piperidine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-4-[4-(1-methylpyrazol-3-yl)piperidine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-4-[4-(1-methylpyrazol-3-yl)piperidine-1-carbonyl]benzenesulfonamide is CN(C)S(=O)(=O)c1ccc(C(=O)N2CCC(c3ccn(C)n3)CC2)cc1.
What is the InChIKey of N,N-dimethyl-4-[4-(1-methylpyrazol-3-yl)piperidine-1-carbonyl]benzenesulfonamide?
The InChIKey is JQQZMWUKLGOOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-20(2)26(24,25)16-6-4-15(5-7-16)18(23)22-12-8-14(9-13-22)17-10-11-21(3)19-17/h4-7,10-11,14H,8-9,12-13H2,1-3H3.
What are the key properties of N,N-dimethyl-4-[4-(1-methylpyrazol-3-yl)piperidine-1-carbonyl]benzenesulfonamide?
N,N-dimethyl-4-[4-(1-methylpyrazol-3-yl)piperidine-1-carbonyl]benzenesulfonamide has a molecular weight of 376.48 g/mol, XLogP of 1.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[4-(1-methylpyrazol-3-yl)piperidine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 121021010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).