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

C19H22ClN3O3S — CID 141498173

IUPAC[1-[3-(4-chlorophenyl)-2-hydroxypentan-3-yl]indazol-4-yl]methanesulfonamide
SMILESCCC(c1ccc(Cl)cc1)(C(C)O)n1ncc2c(CS(N)(=O)=O)cccc21
InChIInChI=1S/C19H22ClN3O3S/c1-3-19(13(2)24,15-7-9-16(20)10-8-15)23-18-6-4-5-14(12-27(21,25)26)17(18)11-22-23/h4-11,13,24H,3,12H2,1-2H3,(H2,21,25,26)
InChIKeyRRQVETSJJLNNGO-UHFFFAOYSA-N
MW407.92 g/mol
LogP3.01
Rot. Bonds6

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

[1-[3-(4-chlorophenyl)-2-hydroxypentan-3-yl]indazol-4-yl]methanesulfonamide (PubChem CID 141498173) has the molecular formula C19H22ClN3O3S and a molecular weight of 407.92 g/mol. Its IUPAC name is [1-[3-(4-chlorophenyl)-2-hydroxypentan-3-yl]indazol-4-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-[3-(4-chlorophenyl)-2-hydroxypentan-3-yl]indazol-4-yl]methanesulfonamide
PubChem CID141498173
Molecular FormulaC19H22ClN3O3S
Molecular Weight407.92 g/mol
Exact Mass407.11
IUPAC Name[1-[3-(4-chlorophenyl)-2-hydroxypentan-3-yl]indazol-4-yl]methanesulfonamide
SMILESCCC(c1ccc(Cl)cc1)(C(C)O)n1ncc2c(CS(N)(=O)=O)cccc21
InChIInChI=1S/C19H22ClN3O3S/c1-3-19(13(2)24,15-7-9-16(20)10-8-15)23-18-6-4-5-14(12-27(21,25)26)17(18)11-22-23/h4-11,13,24H,3,12H2,1-2H3,(H2,21,25,26)
InChIKeyRRQVETSJJLNNGO-UHFFFAOYSA-N
XLogP3.01
TPSA98.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.92
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[1,1-difluoro-2-hydroxy-3-[4-(trifluoromethyl)phenyl]pentan-3-yl]indazol-4-yl]ethanesulfonamide
CID 73051036
N-[1-[1,1-difluoro-2-hydroxy-3-[4-(trifluoromethyl)phenyl]pentan-3-yl]-6-fluoroindazol-4-yl]ethanesulfonamide
CID 73051184
N-[1-[4-hydroxy-3-[4-(trifluoromethyl)phenyl]hexan-3-yl]indazol-4-yl]methanesulfonamide
CID 73053077
N-[1-[(3R)-2-hydroxy-3-[4-(trifluoromethyl)phenyl]pentan-3-yl]indazol-4-yl]methanesulfonamide
CID 155545121
N-[1-[(2R)-2-(4-chlorophenyl)-1-hydroxybutan-2-yl]indazol-4-yl]methanesulfonamide
CID 155565026
N-[1-[2-hydroxy-3-[4-(trifluoromethyl)phenyl]pentan-3-yl]indazol-4-yl]methanesulfonamide
CID 57524239
N-[1-[1,1-difluoro-4-hydroxy-3-[4-(trifluoromethyl)phenyl]pentan-3-yl]indazol-4-yl]ethanesulfonamide
CID 118195027
N-[1-[1,1-difluoro-4-hydroxy-3-[4-(trifluoromethyl)phenyl]hexan-3-yl]indazol-4-yl]ethanesulfonamide
CID 118195029
4-[3-[6-Fluoro-4-(2-methylsulfonylethyl)indazol-1-yl]-4-hydroxyhexan-3-yl]benzonitrile
CID 123649209
4-[4-[(E)-1,1-difluorobut-2-enyl]phenyl]-4-[4-(2-methylsulfinylethyl)indazol-1-yl]hexan-3-ol
CID 145704062
N-[1-[3-[4-(1,1-difluorobutyl)phenyl]-4-hydroxyhexan-3-yl]indazol-4-yl]methanesulfonamide
CID 145704084
N-[1-[3-[4-[(E)-1,1-difluorobut-2-enyl]phenyl]-4-hydroxyhexan-3-yl]indazol-4-yl]methanesulfonamide
CID 145704166

Frequently Asked Questions

What is the IUPAC name of [1-[3-(4-chlorophenyl)-2-hydroxypentan-3-yl]indazol-4-yl]methanesulfonamide?
The IUPAC name of [1-[3-(4-chlorophenyl)-2-hydroxypentan-3-yl]indazol-4-yl]methanesulfonamide (CID 141498173) is [1-[3-(4-chlorophenyl)-2-hydroxypentan-3-yl]indazol-4-yl]methanesulfonamide.
What is the SMILES notation for [1-[3-(4-chlorophenyl)-2-hydroxypentan-3-yl]indazol-4-yl]methanesulfonamide?
The canonical SMILES for [1-[3-(4-chlorophenyl)-2-hydroxypentan-3-yl]indazol-4-yl]methanesulfonamide is CCC(c1ccc(Cl)cc1)(C(C)O)n1ncc2c(CS(N)(=O)=O)cccc21.
What is the InChIKey of [1-[3-(4-chlorophenyl)-2-hydroxypentan-3-yl]indazol-4-yl]methanesulfonamide?
The InChIKey is RRQVETSJJLNNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O3S/c1-3-19(13(2)24,15-7-9-16(20)10-8-15)23-18-6-4-5-14(12-27(21,25)26)17(18)11-22-23/h4-11,13,24H,3,12H2,1-2H3,(H2,21,25,26).
What are the key properties of [1-[3-(4-chlorophenyl)-2-hydroxypentan-3-yl]indazol-4-yl]methanesulfonamide?
[1-[3-(4-chlorophenyl)-2-hydroxypentan-3-yl]indazol-4-yl]methanesulfonamide has a molecular weight of 407.92 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(4-chlorophenyl)-2-hydroxypentan-3-yl]indazol-4-yl]methanesulfonamide is sourced from PubChem (CID 141498173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).