N-[1-[3-(4-chlorophenyl)pentan-3-yl]indazol-4-yl]methanesulfonamide

C19H22ClN3O2S — CID 155511242

IUPACN-[1-[3-(4-chlorophenyl)pentan-3-yl]indazol-4-yl]methanesulfonamide
SMILESCCC(CC)(c1ccc(Cl)cc1)n1ncc2c(NS(C)(=O)=O)cccc21
InChIInChI=1S/C19H22ClN3O2S/c1-4-19(5-2,14-9-11-15(20)12-10-14)23-18-8-6-7-17(16(18)13-21-23)22-26(3,24)25/h6-13,22H,4-5H2,1-3H3
InChIKeyPCPCVZJSDRAGHA-UHFFFAOYSA-N
MW391.92 g/mol
LogP4.62
Rot. Bonds6

About N-[1-[3-(4-chlorophenyl)pentan-3-yl]indazol-4-yl]methanesulfonamide

N-[1-[3-(4-chlorophenyl)pentan-3-yl]indazol-4-yl]methanesulfonamide (PubChem CID 155511242) has the molecular formula C19H22ClN3O2S and a molecular weight of 391.92 g/mol. Its IUPAC name is N-[1-[3-(4-chlorophenyl)pentan-3-yl]indazol-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[3-(4-chlorophenyl)pentan-3-yl]indazol-4-yl]methanesulfonamide
PubChem CID155511242
Molecular FormulaC19H22ClN3O2S
Molecular Weight391.92 g/mol
Exact Mass391.11
IUPAC NameN-[1-[3-(4-chlorophenyl)pentan-3-yl]indazol-4-yl]methanesulfonamide
SMILESCCC(CC)(c1ccc(Cl)cc1)n1ncc2c(NS(C)(=O)=O)cccc21
InChIInChI=1S/C19H22ClN3O2S/c1-4-19(5-2,14-9-11-15(20)12-10-14)23-18-8-6-7-17(16(18)13-21-23)22-26(3,24)25/h6-13,22H,4-5H2,1-3H3
InChIKeyPCPCVZJSDRAGHA-UHFFFAOYSA-N
XLogP4.62
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.92
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(4-chlorophenyl)pentan-3-yl]indazol-4-yl]methanesulfonamide?
The IUPAC name of N-[1-[3-(4-chlorophenyl)pentan-3-yl]indazol-4-yl]methanesulfonamide (CID 155511242) is N-[1-[3-(4-chlorophenyl)pentan-3-yl]indazol-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[3-(4-chlorophenyl)pentan-3-yl]indazol-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-[3-(4-chlorophenyl)pentan-3-yl]indazol-4-yl]methanesulfonamide is CCC(CC)(c1ccc(Cl)cc1)n1ncc2c(NS(C)(=O)=O)cccc21.
What is the InChIKey of N-[1-[3-(4-chlorophenyl)pentan-3-yl]indazol-4-yl]methanesulfonamide?
The InChIKey is PCPCVZJSDRAGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2S/c1-4-19(5-2,14-9-11-15(20)12-10-14)23-18-8-6-7-17(16(18)13-21-23)22-26(3,24)25/h6-13,22H,4-5H2,1-3H3.
What are the key properties of N-[1-[3-(4-chlorophenyl)pentan-3-yl]indazol-4-yl]methanesulfonamide?
N-[1-[3-(4-chlorophenyl)pentan-3-yl]indazol-4-yl]methanesulfonamide has a molecular weight of 391.92 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(4-chlorophenyl)pentan-3-yl]indazol-4-yl]methanesulfonamide is sourced from PubChem (CID 155511242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).