3-chloro-4-methyl-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide

C17H16ClN3O2S — CID 2815268

IUPAC3-chloro-4-methyl-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(-c3ccccc3)nn2C)cc1Cl
InChIInChI=1S/C17H16ClN3O2S/c1-12-8-9-14(10-15(12)18)24(22,23)20-17-11-16(19-21(17)2)13-6-4-3-5-7-13/h3-11,20H,1-2H3
InChIKeyITTIFSLCPBSUEF-UHFFFAOYSA-N
MW361.85 g/mol
LogP3.85
Rot. Bonds4

About 3-chloro-4-methyl-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide

3-chloro-4-methyl-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide (PubChem CID 2815268) has the molecular formula C17H16ClN3O2S and a molecular weight of 361.85 g/mol. Its IUPAC name is 3-chloro-4-methyl-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-methyl-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide
PubChem CID2815268
Molecular FormulaC17H16ClN3O2S
Molecular Weight361.85 g/mol
Exact Mass361.07
IUPAC Name3-chloro-4-methyl-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(-c3ccccc3)nn2C)cc1Cl
InChIInChI=1S/C17H16ClN3O2S/c1-12-8-9-14(10-15(12)18)24(22,23)20-17-11-16(19-21(17)2)13-6-4-3-5-7-13/h3-11,20H,1-2H3
InChIKeyITTIFSLCPBSUEF-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 3-chloro-4-methyl-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide?
The IUPAC name of 3-chloro-4-methyl-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide (CID 2815268) is 3-chloro-4-methyl-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-methyl-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 3-chloro-4-methyl-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cc(-c3ccccc3)nn2C)cc1Cl.
What is the InChIKey of 3-chloro-4-methyl-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide?
The InChIKey is ITTIFSLCPBSUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2S/c1-12-8-9-14(10-15(12)18)24(22,23)20-17-11-16(19-21(17)2)13-6-4-3-5-7-13/h3-11,20H,1-2H3.
What are the key properties of 3-chloro-4-methyl-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide?
3-chloro-4-methyl-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide 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 3-chloro-4-methyl-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 2815268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).