N,3,5-trimethyl-N-[(3-methylthiophen-2-yl)methyl]-1H-pyrazole-4-sulfonamide

C12H17N3O2S2 — CID 60700177

IUPACN,3,5-trimethyl-N-[(3-methylthiophen-2-yl)methyl]-1H-pyrazole-4-sulfonamide
SMILESCc1ccsc1CN(C)S(=O)(=O)c1c(C)n[nH]c1C
InChIInChI=1S/C12H17N3O2S2/c1-8-5-6-18-11(8)7-15(4)19(16,17)12-9(2)13-14-10(12)3/h5-6H,7H2,1-4H3,(H,13,14)
InChIKeyQTAVHFOYZSRUPM-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.22
Rot. Bonds4

About N,3,5-trimethyl-N-[(3-methylthiophen-2-yl)methyl]-1H-pyrazole-4-sulfonamide

N,3,5-trimethyl-N-[(3-methylthiophen-2-yl)methyl]-1H-pyrazole-4-sulfonamide (PubChem CID 60700177) has the molecular formula C12H17N3O2S2 and a molecular weight of 299.42 g/mol. Its IUPAC name is N,3,5-trimethyl-N-[(3-methylthiophen-2-yl)methyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN,3,5-trimethyl-N-[(3-methylthiophen-2-yl)methyl]-1H-pyrazole-4-sulfonamide
PubChem CID60700177
Molecular FormulaC12H17N3O2S2
Molecular Weight299.42 g/mol
Exact Mass299.08
IUPAC NameN,3,5-trimethyl-N-[(3-methylthiophen-2-yl)methyl]-1H-pyrazole-4-sulfonamide
SMILESCc1ccsc1CN(C)S(=O)(=O)c1c(C)n[nH]c1C
InChIInChI=1S/C12H17N3O2S2/c1-8-5-6-18-11(8)7-15(4)19(16,17)12-9(2)13-14-10(12)3/h5-6H,7H2,1-4H3,(H,13,14)
InChIKeyQTAVHFOYZSRUPM-UHFFFAOYSA-N
XLogP2.22
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-ethylphenyl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 43402453
2,6-difluoro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide
CID 51183787
N-[(4-hydroxyphenyl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 60959373
N,3,5-trimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide
CID 110716098
N-[(4-methoxyphenyl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 43398042
4-bromo-2,6-dichloro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide
CID 60652341
N,3,5-trimethyl-N-[(4-methylsulfanylphenyl)methyl]-1H-pyrazole-4-sulfonamide
CID 43402461
4-methyl-3-[methyl-[(3-methylthiophen-2-yl)methyl]sulfamoyl]thiophene-2-carboxylic acid
CID 102748355
2-chloro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]pyrimidine-5-sulfonamide
CID 61042674
N-[(2,4-dichlorophenyl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 43401755
N-[(1-ethylpyrazol-3-yl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 29089957
N-[4-[methyl-[(3-methylthiophen-2-yl)methyl]sulfamoyl]phenyl]acetamide
CID 51183764

Frequently Asked Questions

What is the IUPAC name of N,3,5-trimethyl-N-[(3-methylthiophen-2-yl)methyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of N,3,5-trimethyl-N-[(3-methylthiophen-2-yl)methyl]-1H-pyrazole-4-sulfonamide (CID 60700177) is N,3,5-trimethyl-N-[(3-methylthiophen-2-yl)methyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N,3,5-trimethyl-N-[(3-methylthiophen-2-yl)methyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N,3,5-trimethyl-N-[(3-methylthiophen-2-yl)methyl]-1H-pyrazole-4-sulfonamide is Cc1ccsc1CN(C)S(=O)(=O)c1c(C)n[nH]c1C.
What is the InChIKey of N,3,5-trimethyl-N-[(3-methylthiophen-2-yl)methyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is QTAVHFOYZSRUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S2/c1-8-5-6-18-11(8)7-15(4)19(16,17)12-9(2)13-14-10(12)3/h5-6H,7H2,1-4H3,(H,13,14).
What are the key properties of N,3,5-trimethyl-N-[(3-methylthiophen-2-yl)methyl]-1H-pyrazole-4-sulfonamide?
N,3,5-trimethyl-N-[(3-methylthiophen-2-yl)methyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 299.42 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,5-trimethyl-N-[(3-methylthiophen-2-yl)methyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 60700177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).