N-[4-(3-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzenesulfonamide

C16H11ClF3N3O2S — CID 67647047

IUPACN-[4-(3-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1n[nH]c(C(F)(F)F)c1-c1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C16H11ClF3N3O2S/c17-11-6-4-5-10(9-11)13-14(16(18,19)20)21-22-15(13)23-26(24,25)12-7-2-1-3-8-12/h1-9H,(H2,21,22,23)
InChIKeyCVDRKWUXIQRMQM-UHFFFAOYSA-N
MW401.80 g/mol
LogP4.55
Rot. Bonds4

About N-[4-(3-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzenesulfonamide

N-[4-(3-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzenesulfonamide (PubChem CID 67647047) has the molecular formula C16H11ClF3N3O2S and a molecular weight of 401.80 g/mol. Its IUPAC name is N-[4-(3-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-(3-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzenesulfonamide
PubChem CID67647047
Molecular FormulaC16H11ClF3N3O2S
Molecular Weight401.80 g/mol
Exact Mass401.02
IUPAC NameN-[4-(3-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1n[nH]c(C(F)(F)F)c1-c1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C16H11ClF3N3O2S/c17-11-6-4-5-10(9-11)13-14(16(18,19)20)21-22-15(13)23-26(24,25)12-7-2-1-3-8-12/h1-9H,(H2,21,22,23)
InChIKeyCVDRKWUXIQRMQM-UHFFFAOYSA-N
XLogP4.55
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.80
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzenesulfonamide?
The IUPAC name of N-[4-(3-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzenesulfonamide (CID 67647047) is N-[4-(3-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzenesulfonamide.
What is the SMILES notation for N-[4-(3-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzenesulfonamide?
The canonical SMILES for N-[4-(3-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzenesulfonamide is O=S(=O)(Nc1n[nH]c(C(F)(F)F)c1-c1cccc(Cl)c1)c1ccccc1.
What is the InChIKey of N-[4-(3-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzenesulfonamide?
The InChIKey is CVDRKWUXIQRMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF3N3O2S/c17-11-6-4-5-10(9-11)13-14(16(18,19)20)21-22-15(13)23-26(24,25)12-7-2-1-3-8-12/h1-9H,(H2,21,22,23).
What are the key properties of N-[4-(3-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzenesulfonamide?
N-[4-(3-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzenesulfonamide has a molecular weight of 401.80 g/mol, XLogP of 4.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 67647047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).