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

C16H14ClN3O2S — CID 71845178

IUPACN-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2[nH]ncc2-c2cccc(Cl)c2)c1
InChIInChI=1S/C16H14ClN3O2S/c1-11-4-2-7-14(8-11)23(21,22)20-16-15(10-18-19-16)12-5-3-6-13(17)9-12/h2-10H,1H3,(H2,18,19,20)
InChIKeyUHQJJNNRKHQRSY-UHFFFAOYSA-N
MW347.83 g/mol
LogP3.84
Rot. Bonds4

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

N-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-3-methylbenzenesulfonamide (PubChem CID 71845178) has the molecular formula C16H14ClN3O2S and a molecular weight of 347.83 g/mol. Its IUPAC name is N-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-3-methylbenzenesulfonamide
PubChem CID71845178
Molecular FormulaC16H14ClN3O2S
Molecular Weight347.83 g/mol
Exact Mass347.05
IUPAC NameN-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2[nH]ncc2-c2cccc(Cl)c2)c1
InChIInChI=1S/C16H14ClN3O2S/c1-11-4-2-7-14(8-11)23(21,22)20-16-15(10-18-19-16)12-5-3-6-13(17)9-12/h2-10H,1H3,(H2,18,19,20)
InChIKeyUHQJJNNRKHQRSY-UHFFFAOYSA-N
XLogP3.84
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.83
LogP ≤ 53.84
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)-1H-pyrazol-5-yl]-3-methylbenzenesulfonamide?
The IUPAC name of N-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-3-methylbenzenesulfonamide (CID 71845178) is N-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-3-methylbenzenesulfonamide?
The canonical SMILES for N-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-3-methylbenzenesulfonamide is Cc1cccc(S(=O)(=O)Nc2[nH]ncc2-c2cccc(Cl)c2)c1.
What is the InChIKey of N-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-3-methylbenzenesulfonamide?
The InChIKey is UHQJJNNRKHQRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O2S/c1-11-4-2-7-14(8-11)23(21,22)20-16-15(10-18-19-16)12-5-3-6-13(17)9-12/h2-10H,1H3,(H2,18,19,20).
What are the key properties of N-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-3-methylbenzenesulfonamide?
N-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-3-methylbenzenesulfonamide has a molecular weight of 347.83 g/mol, XLogP of 3.84, 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)-1H-pyrazol-5-yl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 71845178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).