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

C17H16ClN3O2S — CID 2813989

IUPACN-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(-c3ccc(Cl)cc3)nn2C)cc1
InChIInChI=1S/C17H16ClN3O2S/c1-12-3-9-15(10-4-12)24(22,23)20-17-11-16(19-21(17)2)13-5-7-14(18)8-6-13/h3-11,20H,1-2H3
InChIKeyCQRXLYRQMYIBEA-UHFFFAOYSA-N
MW361.85 g/mol
LogP3.85
Rot. Bonds4

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

N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-4-methylbenzenesulfonamide (PubChem CID 2813989) has the molecular formula C17H16ClN3O2S and a molecular weight of 361.85 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-4-methylbenzenesulfonamide
PubChem CID2813989
Molecular FormulaC17H16ClN3O2S
Molecular Weight361.85 g/mol
Exact Mass361.07
IUPAC NameN-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(-c3ccc(Cl)cc3)nn2C)cc1
InChIInChI=1S/C17H16ClN3O2S/c1-12-3-9-15(10-4-12)24(22,23)20-17-11-16(19-21(17)2)13-5-7-14(18)8-6-13/h3-11,20H,1-2H3
InChIKeyCQRXLYRQMYIBEA-UHFFFAOYSA-N
XLogP3.85
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.85
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-4-methylbenzenesulfonamide (CID 2813989) is N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cc(-c3ccc(Cl)cc3)nn2C)cc1.
What is the InChIKey of N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-4-methylbenzenesulfonamide?
The InChIKey is CQRXLYRQMYIBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2S/c1-12-3-9-15(10-4-12)24(22,23)20-17-11-16(19-21(17)2)13-5-7-14(18)8-6-13/h3-11,20H,1-2H3.
What are the key properties of N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-4-methylbenzenesulfonamide?
N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-4-methylbenzenesulfonamide has a molecular weight of 361.85 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 2813989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).