N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide

C13H20N4O3S — CID 60700187

IUPACN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NCC(c1ccco1)N(C)C
InChIInChI=1S/C13H20N4O3S/c1-9-13(10(2)16-15-9)21(18,19)14-8-11(17(3)4)12-6-5-7-20-12/h5-7,11,14H,8H2,1-4H3,(H,15,16)
InChIKeyMTZZBFSJVAWURC-UHFFFAOYSA-N
MW312.40 g/mol
LogP1.20
Rot. Bonds6

About N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide

N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 60700187) has the molecular formula C13H20N4O3S and a molecular weight of 312.40 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID60700187
Molecular FormulaC13H20N4O3S
Molecular Weight312.40 g/mol
Exact Mass312.13
IUPAC NameN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NCC(c1ccco1)N(C)C
InChIInChI=1S/C13H20N4O3S/c1-9-13(10(2)16-15-9)21(18,19)14-8-11(17(3)4)12-6-5-7-20-12/h5-7,11,14H,8H2,1-4H3,(H,15,16)
InChIKeyMTZZBFSJVAWURC-UHFFFAOYSA-N
XLogP1.20
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 51710552
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 112506555
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzenesulfonamide
CID 45003113
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 112502925
N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-fluoro-4-methylbenzenesulfonamide
CID 51943762
3-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzene-1,3-disulfonamide
CID 55511765
N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-nitrobenzenesulfonamide
CID 41454933
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methylbenzenesulfonamide;formic acid
CID 71786114
N-[(2R)-2-(ethylamino)propyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide;hydrochloride
CID 120664979
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]piperidine-1-sulfonamide
CID 47149015
N-(2-amino-3-hydroxybutyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 64540635
1-(4-chlorophenyl)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]methanesulfonamide
CID 93157738

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 60700187) is N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)NCC(c1ccco1)N(C)C.
What is the InChIKey of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is MTZZBFSJVAWURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3S/c1-9-13(10(2)16-15-9)21(18,19)14-8-11(17(3)4)12-6-5-7-20-12/h5-7,11,14H,8H2,1-4H3,(H,15,16).
What are the key properties of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 312.40 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 60700187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).