N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide

C16H14ClN3O2S — CID 22203582

IUPACN-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccn(Cc2ccccc2Cl)n1)c1ccccc1
InChIInChI=1S/C16H14ClN3O2S/c17-15-9-5-4-6-13(15)12-20-11-10-16(18-20)19-23(21,22)14-7-2-1-3-8-14/h1-11H,12H2,(H,18,19)
InChIKeyCFCJFZDCTMFRGJ-UHFFFAOYSA-N
MW347.83 g/mol
LogP3.39
Rot. Bonds5

About N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide

N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide (PubChem CID 22203582) has the molecular formula C16H14ClN3O2S and a molecular weight of 347.83 g/mol. Its IUPAC name is N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide
PubChem CID22203582
Molecular FormulaC16H14ClN3O2S
Molecular Weight347.83 g/mol
Exact Mass347.05
IUPAC NameN-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccn(Cc2ccccc2Cl)n1)c1ccccc1
InChIInChI=1S/C16H14ClN3O2S/c17-15-9-5-4-6-13(15)12-20-11-10-16(18-20)19-23(21,22)14-7-2-1-3-8-14/h1-11H,12H2,(H,18,19)
InChIKeyCFCJFZDCTMFRGJ-UHFFFAOYSA-N
XLogP3.39
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.83
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 22203594
N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-nitrobenzenesulfonamide
CID 22203608
N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2,4,6-trimethylbenzenesulfonamide
CID 22203620
4-methyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 19578079
4-methoxy-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]benzenesulfonamide
CID 17022744
4-ethyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]benzenesulfonamide
CID 22206833
4-chloro-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 22206918
N-[4-[[1-[(2-methylphenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide
CID 22202106
4-butan-2-yl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 22202090
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-3-nitrobenzenesulfonamide
CID 3461129
2,5-dichloro-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 22206532
N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-4-phenylbenzamide
CID 19285520

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide?
The IUPAC name of N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide (CID 22203582) is N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide.
What is the SMILES notation for N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide?
The canonical SMILES for N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide is O=S(=O)(Nc1ccn(Cc2ccccc2Cl)n1)c1ccccc1.
What is the InChIKey of N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide?
The InChIKey is CFCJFZDCTMFRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O2S/c17-15-9-5-4-6-13(15)12-20-11-10-16(18-20)19-23(21,22)14-7-2-1-3-8-14/h1-11H,12H2,(H,18,19).
What are the key properties of N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide?
N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide has a molecular weight of 347.83 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 22203582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).