N-[1-[3-(4-bromophenyl)-2-hydroxypentan-3-yl]indazol-4-yl]methanesulfonamide

C19H22BrN3O3S — CID 73053075

IUPACN-[1-[3-(4-bromophenyl)-2-hydroxypentan-3-yl]indazol-4-yl]methanesulfonamide
SMILESCCC(c1ccc(Br)cc1)(C(C)O)n1ncc2c(NS(C)(=O)=O)cccc21
InChIInChI=1S/C19H22BrN3O3S/c1-4-19(13(2)24,14-8-10-15(20)11-9-14)23-18-7-5-6-17(16(18)12-21-23)22-27(3,25)26/h5-13,22,24H,4H2,1-3H3
InChIKeyWUVQTDRYUCDOAZ-UHFFFAOYSA-N
MW452.37 g/mol
LogP3.70
Rot. Bonds6

About N-[1-[3-(4-bromophenyl)-2-hydroxypentan-3-yl]indazol-4-yl]methanesulfonamide

N-[1-[3-(4-bromophenyl)-2-hydroxypentan-3-yl]indazol-4-yl]methanesulfonamide (PubChem CID 73053075) has the molecular formula C19H22BrN3O3S and a molecular weight of 452.37 g/mol. Its IUPAC name is N-[1-[3-(4-bromophenyl)-2-hydroxypentan-3-yl]indazol-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[3-(4-bromophenyl)-2-hydroxypentan-3-yl]indazol-4-yl]methanesulfonamide
PubChem CID73053075
Molecular FormulaC19H22BrN3O3S
Molecular Weight452.37 g/mol
Exact Mass451.06
IUPAC NameN-[1-[3-(4-bromophenyl)-2-hydroxypentan-3-yl]indazol-4-yl]methanesulfonamide
SMILESCCC(c1ccc(Br)cc1)(C(C)O)n1ncc2c(NS(C)(=O)=O)cccc21
InChIInChI=1S/C19H22BrN3O3S/c1-4-19(13(2)24,14-8-10-15(20)11-9-14)23-18-7-5-6-17(16(18)12-21-23)22-27(3,25)26/h5-13,22,24H,4H2,1-3H3
InChIKeyWUVQTDRYUCDOAZ-UHFFFAOYSA-N
XLogP3.70
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.37
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(4-bromophenyl)-2-hydroxypentan-3-yl]indazol-4-yl]methanesulfonamide?
The IUPAC name of N-[1-[3-(4-bromophenyl)-2-hydroxypentan-3-yl]indazol-4-yl]methanesulfonamide (CID 73053075) is N-[1-[3-(4-bromophenyl)-2-hydroxypentan-3-yl]indazol-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[3-(4-bromophenyl)-2-hydroxypentan-3-yl]indazol-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-[3-(4-bromophenyl)-2-hydroxypentan-3-yl]indazol-4-yl]methanesulfonamide is CCC(c1ccc(Br)cc1)(C(C)O)n1ncc2c(NS(C)(=O)=O)cccc21.
What is the InChIKey of N-[1-[3-(4-bromophenyl)-2-hydroxypentan-3-yl]indazol-4-yl]methanesulfonamide?
The InChIKey is WUVQTDRYUCDOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN3O3S/c1-4-19(13(2)24,14-8-10-15(20)11-9-14)23-18-7-5-6-17(16(18)12-21-23)22-27(3,25)26/h5-13,22,24H,4H2,1-3H3.
What are the key properties of N-[1-[3-(4-bromophenyl)-2-hydroxypentan-3-yl]indazol-4-yl]methanesulfonamide?
N-[1-[3-(4-bromophenyl)-2-hydroxypentan-3-yl]indazol-4-yl]methanesulfonamide has a molecular weight of 452.37 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(4-bromophenyl)-2-hydroxypentan-3-yl]indazol-4-yl]methanesulfonamide is sourced from PubChem (CID 73053075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).