3-(2-chloro-6-methylphenyl)sulfonyl-N,N-diethyl-4-fluoropyrazole-1-carboxamide

C15H17ClFN3O3S — CID 19932214

IUPAC3-(2-chloro-6-methylphenyl)sulfonyl-N,N-diethyl-4-fluoropyrazole-1-carboxamide
SMILESCCN(CC)C(=O)n1cc(F)c(S(=O)(=O)c2c(C)cccc2Cl)n1
InChIInChI=1S/C15H17ClFN3O3S/c1-4-19(5-2)15(21)20-9-12(17)14(18-20)24(22,23)13-10(3)7-6-8-11(13)16/h6-9H,4-5H2,1-3H3
InChIKeyNBHUENGSZHLROW-UHFFFAOYSA-N
MW373.84 g/mol
LogP3.13
Rot. Bonds4

About 3-(2-chloro-6-methylphenyl)sulfonyl-N,N-diethyl-4-fluoropyrazole-1-carboxamide

3-(2-chloro-6-methylphenyl)sulfonyl-N,N-diethyl-4-fluoropyrazole-1-carboxamide (PubChem CID 19932214) has the molecular formula C15H17ClFN3O3S and a molecular weight of 373.84 g/mol. Its IUPAC name is 3-(2-chloro-6-methylphenyl)sulfonyl-N,N-diethyl-4-fluoropyrazole-1-carboxamide.

Molecular Properties

Compound Name3-(2-chloro-6-methylphenyl)sulfonyl-N,N-diethyl-4-fluoropyrazole-1-carboxamide
PubChem CID19932214
Molecular FormulaC15H17ClFN3O3S
Molecular Weight373.84 g/mol
Exact Mass373.07
IUPAC Name3-(2-chloro-6-methylphenyl)sulfonyl-N,N-diethyl-4-fluoropyrazole-1-carboxamide
SMILESCCN(CC)C(=O)n1cc(F)c(S(=O)(=O)c2c(C)cccc2Cl)n1
InChIInChI=1S/C15H17ClFN3O3S/c1-4-19(5-2)15(21)20-9-12(17)14(18-20)24(22,23)13-10(3)7-6-8-11(13)16/h6-9H,4-5H2,1-3H3
InChIKeyNBHUENGSZHLROW-UHFFFAOYSA-N
XLogP3.13
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-4-fluoro-3-(2-methyl-6-propan-2-ylphenyl)sulfonylpyrazole-1-carboxamide
CID 19931960
4-chloro-3-(2,3-difluorophenyl)sulfonyl-N,N-diethylpyrazole-1-carboxamide
CID 19931848
4-chloro-N-ethyl-N-propyl-3-(2,4,6-trimethylphenyl)sulfonylpyrazole-1-carboxamide
CID 19931968
3-(2-chloro-6-fluorophenyl)sulfanyl-N,N-diethyl-4-fluoropyrazole-1-carboxamide
CID 19932210
4-chloro-3-(3-chlorophenyl)sulfonyl-N,N-diethylpyrazole-1-carboxamide
CID 19932171
4-bromo-3-(3-chloro-4-fluorophenyl)sulfonyl-N,N-diethylpyrazole-1-carboxamide
CID 19931935
3-(2,3-dimethylphenyl)sulfonyl-N,N-diethyl-1,2,4-triazole-1-carboxamide
CID 14879256
[4-[[(2-fluorobenzoyl)-(2-methylpropyl)amino]methyl]phenyl] 2-chloro-6-methylbenzenesulfonate
CID 71956601
N,N-diethyl-3-[(6-methyl-2-pyridinyl)sulfonyl]pyrazole-1-carboxamide
CID 19931910
[4-[[acetyl-[2-(dimethylamino)ethyl]amino]methyl]phenyl] 2-chloro-6-methylbenzenesulfonate
CID 83283105
2,6-dichloro-N,N-diethylbenzenesulfonamide
CID 3331535
3-chloro-N,N-diethyl-2-fluorobenzamide
CID 80949009

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-methylphenyl)sulfonyl-N,N-diethyl-4-fluoropyrazole-1-carboxamide?
The IUPAC name of 3-(2-chloro-6-methylphenyl)sulfonyl-N,N-diethyl-4-fluoropyrazole-1-carboxamide (CID 19932214) is 3-(2-chloro-6-methylphenyl)sulfonyl-N,N-diethyl-4-fluoropyrazole-1-carboxamide.
What is the SMILES notation for 3-(2-chloro-6-methylphenyl)sulfonyl-N,N-diethyl-4-fluoropyrazole-1-carboxamide?
The canonical SMILES for 3-(2-chloro-6-methylphenyl)sulfonyl-N,N-diethyl-4-fluoropyrazole-1-carboxamide is CCN(CC)C(=O)n1cc(F)c(S(=O)(=O)c2c(C)cccc2Cl)n1.
What is the InChIKey of 3-(2-chloro-6-methylphenyl)sulfonyl-N,N-diethyl-4-fluoropyrazole-1-carboxamide?
The InChIKey is NBHUENGSZHLROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFN3O3S/c1-4-19(5-2)15(21)20-9-12(17)14(18-20)24(22,23)13-10(3)7-6-8-11(13)16/h6-9H,4-5H2,1-3H3.
What are the key properties of 3-(2-chloro-6-methylphenyl)sulfonyl-N,N-diethyl-4-fluoropyrazole-1-carboxamide?
3-(2-chloro-6-methylphenyl)sulfonyl-N,N-diethyl-4-fluoropyrazole-1-carboxamide has a molecular weight of 373.84 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-methylphenyl)sulfonyl-N,N-diethyl-4-fluoropyrazole-1-carboxamide is sourced from PubChem (CID 19932214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).