N-(3-chloro-1-methylindazol-5-yl)-4-methylbenzenesulfonamide

C15H14ClN3O2S — CID 139086324

IUPACN-(3-chloro-1-methylindazol-5-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3c(c2)c(Cl)nn3C)cc1
InChIInChI=1S/C15H14ClN3O2S/c1-10-3-6-12(7-4-10)22(20,21)18-11-5-8-14-13(9-11)15(16)17-19(14)2/h3-9,18H,1-2H3
InChIKeyZAUFVSJRASJBPH-UHFFFAOYSA-N
MW335.82 g/mol
LogP3.34
Rot. Bonds3

About N-(3-chloro-1-methylindazol-5-yl)-4-methylbenzenesulfonamide

N-(3-chloro-1-methylindazol-5-yl)-4-methylbenzenesulfonamide (PubChem CID 139086324) has the molecular formula C15H14ClN3O2S and a molecular weight of 335.82 g/mol. Its IUPAC name is N-(3-chloro-1-methylindazol-5-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-chloro-1-methylindazol-5-yl)-4-methylbenzenesulfonamide
PubChem CID139086324
Molecular FormulaC15H14ClN3O2S
Molecular Weight335.82 g/mol
Exact Mass335.05
IUPAC NameN-(3-chloro-1-methylindazol-5-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3c(c2)c(Cl)nn3C)cc1
InChIInChI=1S/C15H14ClN3O2S/c1-10-3-6-12(7-4-10)22(20,21)18-11-5-8-14-13(9-11)15(16)17-19(14)2/h3-9,18H,1-2H3
InChIKeyZAUFVSJRASJBPH-UHFFFAOYSA-N
XLogP3.34
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.82
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-1-methylindazol-5-yl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(3-chloro-1-methylindazol-5-yl)-4-methylbenzenesulfonamide (CID 139086324) is N-(3-chloro-1-methylindazol-5-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(3-chloro-1-methylindazol-5-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(3-chloro-1-methylindazol-5-yl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)c(Cl)nn3C)cc1.
What is the InChIKey of N-(3-chloro-1-methylindazol-5-yl)-4-methylbenzenesulfonamide?
The InChIKey is ZAUFVSJRASJBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2S/c1-10-3-6-12(7-4-10)22(20,21)18-11-5-8-14-13(9-11)15(16)17-19(14)2/h3-9,18H,1-2H3.
What are the key properties of N-(3-chloro-1-methylindazol-5-yl)-4-methylbenzenesulfonamide?
N-(3-chloro-1-methylindazol-5-yl)-4-methylbenzenesulfonamide has a molecular weight of 335.82 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-1-methylindazol-5-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 139086324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).