N,1-dimethyl-N-[2-(4-methylphenoxy)ethyl]pyrazole-4-sulfonamide

C14H19N3O3S — CID 45822307

IUPACN,1-dimethyl-N-[2-(4-methylphenoxy)ethyl]pyrazole-4-sulfonamide
SMILESCC1=CC=C(C=C1)OCCN(C)S(=O)(=O)C2=CN(N=C2)C
InChIInChI=1S/C14H19N3O3S/c1-12-4-6-13(7-5-12)20-9-8-17(3)21(18,19)14-10-15-16(2)11-14/h4-7,10-11H,8-9H2,1-3H3
InChIKeyXCVUJKCUQMUEGP-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.40
Rot. Bonds6

About N,1-dimethyl-N-[2-(4-methylphenoxy)ethyl]pyrazole-4-sulfonamide

N,1-dimethyl-N-[2-(4-methylphenoxy)ethyl]pyrazole-4-sulfonamide (PubChem CID 45822307) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is N,1-dimethyl-N-[2-(4-methylphenoxy)ethyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN,1-dimethyl-N-[2-(4-methylphenoxy)ethyl]pyrazole-4-sulfonamide
PubChem CID45822307
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC NameN,1-dimethyl-N-[2-(4-methylphenoxy)ethyl]pyrazole-4-sulfonamide
SMILESCC1=CC=C(C=C1)OCCN(C)S(=O)(=O)C2=CN(N=C2)C
InChIInChI=1S/C14H19N3O3S/c1-12-4-6-13(7-5-12)20-9-8-17(3)21(18,19)14-10-15-16(2)11-14/h4-7,10-11H,8-9H2,1-3H3
InChIKeyXCVUJKCUQMUEGP-UHFFFAOYSA-N
XLogP1.40
TPSA72.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity416

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-N-(4-methoxybenzyl)-1H-pyrazole-4-sulfonamide
CID 6470938
N-[2-(4-methoxyphenyl)ethyl]-1,3-dimethyl-1H-pyrazole-4-sulfonamide
CID 1509138
N-[2-[5-(1-amino-3-phenylpropan-2-yl)-2-fluorophenoxy]ethyl]-1-methylpyrazole-4-sulfonamide
CID 56642611
N-[2-[3-(1-amino-3-phenylpropan-2-yl)phenoxy]ethyl]-1-methylpyrazole-4-sulfonamide
CID 56836522
N-[2-[3-[1-(dimethylamino)-3-phenylpropan-2-yl]phenoxy]ethyl]-1-methylpyrazole-4-sulfonamide
CID 56836748
1-methyl-N-[1-[2-(2-phenylphenoxy)ethyl]azetidin-3-yl]pyrazole-4-sulfonamide
CID 127024950
N-[1-[2-(2-tert-butylphenoxy)ethyl]piperidin-4-yl]-N-(cyclopropylmethyl)-1-methylpyrazole-4-sulfonamide
CID 127037921
N-(cyclopropylmethyl)-1-methyl-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]pyrazole-4-sulfonamide
CID 127038281
N-[1-[2-(2-tert-butylphenoxy)ethyl]piperidin-4-yl]-1-methylpyrazole-4-sulfonamide
CID 127038282
N-(cyclopropylmethyl)-1-methyl-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]pyrazole-4-sulfonamide
CID 127039593
1-methyl-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]pyrazole-4-sulfonamide
CID 127041106
N,1-dimethyl-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]pyrazole-4-sulfonamide
CID 127041259

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-[2-(4-methylphenoxy)ethyl]pyrazole-4-sulfonamide?
The IUPAC name of N,1-dimethyl-N-[2-(4-methylphenoxy)ethyl]pyrazole-4-sulfonamide (CID 45822307) is N,1-dimethyl-N-[2-(4-methylphenoxy)ethyl]pyrazole-4-sulfonamide.
What is the SMILES notation for N,1-dimethyl-N-[2-(4-methylphenoxy)ethyl]pyrazole-4-sulfonamide?
The canonical SMILES for N,1-dimethyl-N-[2-(4-methylphenoxy)ethyl]pyrazole-4-sulfonamide is CC1=CC=C(C=C1)OCCN(C)S(=O)(=O)C2=CN(N=C2)C.
What is the InChIKey of N,1-dimethyl-N-[2-(4-methylphenoxy)ethyl]pyrazole-4-sulfonamide?
The InChIKey is XCVUJKCUQMUEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-12-4-6-13(7-5-12)20-9-8-17(3)21(18,19)14-10-15-16(2)11-14/h4-7,10-11H,8-9H2,1-3H3.
What are the key properties of N,1-dimethyl-N-[2-(4-methylphenoxy)ethyl]pyrazole-4-sulfonamide?
N,1-dimethyl-N-[2-(4-methylphenoxy)ethyl]pyrazole-4-sulfonamide has a molecular weight of 309.39 g/mol, XLogP of 1.40, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-[2-(4-methylphenoxy)ethyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 45822307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).