4-chloro-2-fluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzenesulfonamide

C12H13ClFN3O3S — CID 87027323

IUPAC4-chloro-2-fluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzenesulfonamide
SMILESCOCCn1cc(NS(=O)(=O)c2ccc(Cl)cc2F)cn1
InChIInChI=1S/C12H13ClFN3O3S/c1-20-5-4-17-8-10(7-15-17)16-21(18,19)12-3-2-9(13)6-11(12)14/h2-3,6-8,16H,4-5H2,1H3
InChIKeyHTJNZYGLTCVQJC-UHFFFAOYSA-N
MW333.77 g/mol
LogP2.12
Rot. Bonds6

About 4-chloro-2-fluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzenesulfonamide

4-chloro-2-fluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzenesulfonamide (PubChem CID 87027323) has the molecular formula C12H13ClFN3O3S and a molecular weight of 333.77 g/mol. Its IUPAC name is 4-chloro-2-fluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-2-fluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzenesulfonamide
PubChem CID87027323
Molecular FormulaC12H13ClFN3O3S
Molecular Weight333.77 g/mol
Exact Mass333.04
IUPAC Name4-chloro-2-fluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzenesulfonamide
SMILESCOCCn1cc(NS(=O)(=O)c2ccc(Cl)cc2F)cn1
InChIInChI=1S/C12H13ClFN3O3S/c1-20-5-4-17-8-10(7-15-17)16-21(18,19)12-3-2-9(13)6-11(12)14/h2-3,6-8,16H,4-5H2,1H3
InChIKeyHTJNZYGLTCVQJC-UHFFFAOYSA-N
XLogP2.12
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.77
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-4-fluoro-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide
CID 45811498
3,4-difluoro-N-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)benzenesulfonamide
CID 71810311
5-Chloro-2-Fluoro-N-[1-(4-Piperidyl)pyrazol-4-Yl]benzenesulfonamide
CID 75815412
3-chloro-N-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)benzenesulfonamide
CID 71810305
(3-chloro-2-tolylsulfonyl){1-[(S)-perhydro-3-furyl]-4-pyrazolyl}amine
CID 97428242
2-fluoro-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzenesulfonamide
CID 45905444
N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]benzenesulfonamide
CID 97428220
2,5-difluoro-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]benzenesulfonamide
CID 97428252
[(4-Chlorophenyl)sulfonyl]{1-[(4-fluorophenyl)methyl]pyrazol-4-yl}amine
CID 17376586
4-chloro-N-[1-(2-fluorobenzyl)-1H-pyrazol-4-yl]benzenesulfonamide
CID 4772796
4-chloro-N-[1-(3-fluorobenzyl)-1H-pyrazol-4-yl]benzenesulfonamide
CID 17022789
n-(1-Ethyl-1h-pyrazol-4-yl)-2-fluorobenzenesulfonamide
CID 31912908

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzenesulfonamide?
The IUPAC name of 4-chloro-2-fluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzenesulfonamide (CID 87027323) is 4-chloro-2-fluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-2-fluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzenesulfonamide?
The canonical SMILES for 4-chloro-2-fluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzenesulfonamide is COCCn1cc(NS(=O)(=O)c2ccc(Cl)cc2F)cn1.
What is the InChIKey of 4-chloro-2-fluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzenesulfonamide?
The InChIKey is HTJNZYGLTCVQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFN3O3S/c1-20-5-4-17-8-10(7-15-17)16-21(18,19)12-3-2-9(13)6-11(12)14/h2-3,6-8,16H,4-5H2,1H3.
What are the key properties of 4-chloro-2-fluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzenesulfonamide?
4-chloro-2-fluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzenesulfonamide has a molecular weight of 333.77 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 87027323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).