4-chloro-N-[1-(1-phenylpyrazol-4-yl)pyrazol-4-yl]benzenesulfonamide

C18H14ClN5O2S — CID 17383692

IUPAC4-chloro-N-[1-(1-phenylpyrazol-4-yl)pyrazol-4-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1cnn(-c2cnn(-c3ccccc3)c2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C18H14ClN5O2S/c19-14-6-8-18(9-7-14)27(25,26)22-15-10-20-23(12-15)17-11-21-24(13-17)16-4-2-1-3-5-16/h1-13,22H
InChIKeyMYGORYHXCUIJHF-UHFFFAOYSA-N
MW399.86 g/mol
LogP3.51
Rot. Bonds5

About 4-chloro-N-[1-(1-phenylpyrazol-4-yl)pyrazol-4-yl]benzenesulfonamide

4-chloro-N-[1-(1-phenylpyrazol-4-yl)pyrazol-4-yl]benzenesulfonamide (PubChem CID 17383692) has the molecular formula C18H14ClN5O2S and a molecular weight of 399.86 g/mol. Its IUPAC name is 4-chloro-N-[1-(1-phenylpyrazol-4-yl)pyrazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[1-(1-phenylpyrazol-4-yl)pyrazol-4-yl]benzenesulfonamide
PubChem CID17383692
Molecular FormulaC18H14ClN5O2S
Molecular Weight399.86 g/mol
Exact Mass399.06
IUPAC Name4-chloro-N-[1-(1-phenylpyrazol-4-yl)pyrazol-4-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1cnn(-c2cnn(-c3ccccc3)c2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C18H14ClN5O2S/c19-14-6-8-18(9-7-14)27(25,26)22-15-10-20-23(12-15)17-11-21-24(13-17)16-4-2-1-3-5-16/h1-13,22H
InChIKeyMYGORYHXCUIJHF-UHFFFAOYSA-N
XLogP3.51
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.86
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]-1-phenylpyrazole-4-carboxamide
CID 29202603
4-[(4-methylphenyl)sulfamoyl]-N-(1-phenylpyrazol-4-yl)benzamide
CID 47081142
4-[4-(4-chlorophenyl)piperazin-1-yl]-N-phenylbenzenesulfonamide
CID 173255445
4-chloro-N-phenylbenzenesulfonamide;ethane
CID 91229233
4-chloro-N-[4-[4-(4-methoxyphenyl)pyrazol-1-yl]phenyl]benzenesulfonamide
CID 4149169
3-[(4-chlorophenyl)sulfonylamino]-N-[1-(3-methoxyphenyl)pyrazol-4-yl]benzamide
CID 155555935
N-(4-cyanophenyl)-1-phenylpyrazole-4-sulfonamide
CID 51093668
N-[3-(benzenesulfonamido)-4-methylphenyl]-1-(4-chlorophenyl)pyrazole-4-carboxamide
CID 55839751
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22202650
4-(4-chlorophenyl)-1-phenylpyrazole
CID 4152296
2,6-difluoro-N-[1-(1-phenylpyrazol-4-yl)pyrazol-4-yl]benzamide
CID 17088872
4-chloro-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide
CID 25499347

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(1-phenylpyrazol-4-yl)pyrazol-4-yl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[1-(1-phenylpyrazol-4-yl)pyrazol-4-yl]benzenesulfonamide (CID 17383692) is 4-chloro-N-[1-(1-phenylpyrazol-4-yl)pyrazol-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[1-(1-phenylpyrazol-4-yl)pyrazol-4-yl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[1-(1-phenylpyrazol-4-yl)pyrazol-4-yl]benzenesulfonamide is O=S(=O)(Nc1cnn(-c2cnn(-c3ccccc3)c2)c1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[1-(1-phenylpyrazol-4-yl)pyrazol-4-yl]benzenesulfonamide?
The InChIKey is MYGORYHXCUIJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN5O2S/c19-14-6-8-18(9-7-14)27(25,26)22-15-10-20-23(12-15)17-11-21-24(13-17)16-4-2-1-3-5-16/h1-13,22H.
What are the key properties of 4-chloro-N-[1-(1-phenylpyrazol-4-yl)pyrazol-4-yl]benzenesulfonamide?
4-chloro-N-[1-(1-phenylpyrazol-4-yl)pyrazol-4-yl]benzenesulfonamide has a molecular weight of 399.86 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(1-phenylpyrazol-4-yl)pyrazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 17383692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).