4-chloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide

C16H12Cl2FN3O2S — CID 17026905

IUPAC4-chloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccn(Cc2c(F)cccc2Cl)n1)c1ccc(Cl)cc1
InChIInChI=1S/C16H12Cl2FN3O2S/c17-11-4-6-12(7-5-11)25(23,24)21-16-8-9-22(20-16)10-13-14(18)2-1-3-15(13)19/h1-9H,10H2,(H,20,21)
InChIKeyFDABDHLXBHWTLN-UHFFFAOYSA-N
MW400.26 g/mol
LogP4.18
Rot. Bonds5

About 4-chloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide

4-chloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide (PubChem CID 17026905) has the molecular formula C16H12Cl2FN3O2S and a molecular weight of 400.26 g/mol. Its IUPAC name is 4-chloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide
PubChem CID17026905
Molecular FormulaC16H12Cl2FN3O2S
Molecular Weight400.26 g/mol
Exact Mass399.00
IUPAC Name4-chloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccn(Cc2c(F)cccc2Cl)n1)c1ccc(Cl)cc1
InChIInChI=1S/C16H12Cl2FN3O2S/c17-11-4-6-12(7-5-11)25(23,24)21-16-8-9-22(20-16)10-13-14(18)2-1-3-15(13)19/h1-9H,10H2,(H,20,21)
InChIKeyFDABDHLXBHWTLN-UHFFFAOYSA-N
XLogP4.18
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.26
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-chloro-6-fluorobenzyl)-1H-pyrazol-3-yl]-2-nitrobenzenesulfonamide
CID 1223833
1-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-amine
CID 588819
N-[4-({[1-(2-chlorobenzyl)-1H-pyrazol-3-yl]amino}sulfonyl)phenyl]acetamide
CID 1017937
3-chloro-2-methyl-N-(1-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 2808894
4-chloro-N-[2-(4-fluorophenyl)pyrazol-3-yl]benzenesulfonamide
CID 90285817
N-[(4-chlorophenyl)methyl]-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide
CID 7997064
4-chloro-2,5-dimethyl-N-(1-methyl-1H-pyrazol-5-yl)benzene-1-sulfonamide
CID 2808908
N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-4-fluorobenzenesulfonamide
CID 2813992
N-[1-(4-chlorobenzyl)-1H-pyrazol-3-yl]methanesulfonamide
CID 4769076
N-[1-(2-chloro-4-fluorobenzyl)-1H-pyrazol-3-yl]methanesulfonamide
CID 17022617
N-[1-(3-chlorobenzyl)-1H-pyrazol-3-yl]methanesulfonamide
CID 17022658
N-[1-(3-chlorobenzyl)-1H-pyrazol-3-yl]ethanesulfonamide
CID 17022849

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide (CID 17026905) is 4-chloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide is O=S(=O)(Nc1ccn(Cc2c(F)cccc2Cl)n1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide?
The InChIKey is FDABDHLXBHWTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2FN3O2S/c17-11-4-6-12(7-5-11)25(23,24)21-16-8-9-22(20-16)10-13-14(18)2-1-3-15(13)19/h1-9H,10H2,(H,20,21).
What are the key properties of 4-chloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide?
4-chloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide has a molecular weight of 400.26 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 17026905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).