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

C19H22ClN3O3S — CID 70562766

IUPACN-[1-[3-(4-chlorophenyl)-2-hydroxypentan-3-yl]indazol-4-yl]methanesulfonamide
SMILESCCC(c1ccc(Cl)cc1)(C(C)O)n1ncc2c(NS(C)(=O)=O)cccc21
InChIInChI=1S/C19H22ClN3O3S/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
InChIKeyWJZLBPYHQLTFHH-UHFFFAOYSA-N
MW407.92 g/mol
LogP3.60
Rot. Bonds6

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

N-[1-[3-(4-chlorophenyl)-2-hydroxypentan-3-yl]indazol-4-yl]methanesulfonamide (PubChem CID 70562766) has the molecular formula C19H22ClN3O3S and a molecular weight of 407.92 g/mol. Its IUPAC name is N-[1-[3-(4-chlorophenyl)-2-hydroxypentan-3-yl]indazol-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[3-(4-chlorophenyl)-2-hydroxypentan-3-yl]indazol-4-yl]methanesulfonamide
PubChem CID70562766
Molecular FormulaC19H22ClN3O3S
Molecular Weight407.92 g/mol
Exact Mass407.11
IUPAC NameN-[1-[3-(4-chlorophenyl)-2-hydroxypentan-3-yl]indazol-4-yl]methanesulfonamide
SMILESCCC(c1ccc(Cl)cc1)(C(C)O)n1ncc2c(NS(C)(=O)=O)cccc21
InChIInChI=1S/C19H22ClN3O3S/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
InChIKeyWJZLBPYHQLTFHH-UHFFFAOYSA-N
XLogP3.60
TPSA84.22 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 ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(2R)-2-(4-chlorophenyl)-1-hydroxybutan-2-yl]indol-4-yl]methanesulfonamide
CID 57524309
N-[1-[1,1-difluoro-2-hydroxy-3-[4-(trifluoromethyl)phenyl]pentan-3-yl]indazol-4-yl]methanesulfonamide
CID 72722204
N-[1-[1,1-difluoro-4-hydroxy-3-[4-(trifluoromethyl)phenyl]hexan-3-yl]indazol-4-yl]methanesulfonamide
CID 73051033
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-(3-(4-bromophenyl)-2-hydroxypentan-3-yl)-1H-indazol-4-yl) methanesulfonamide
CID 73053075
N-(1-(-3-(4-bromophenyl)-4-hydroxyhexan-3-yl)-1H-indazol-4-yl)methanesulfonamide
CID 73053076
N-[1-[4-hydroxy-3-[4-(trifluoromethyl)phenyl]hexan-3-yl]indazol-4-yl]methanesulfonamide
CID 73053077
N-[6-fluoro-1-[4-hydroxy-3-[4-(trifluoromethyl)phenyl]hexan-3-yl]indazol-4-yl]methanesulfonamide
CID 73053221
N-[1-[3-(4-chlorophenyl)pentan-3-yl]indazol-4-yl]methanesulfonamide
CID 155511242
N-[6-fluoro-1-[(3R)-2-hydroxy-3-[4-(trifluoromethyl)phenyl]pentan-3-yl]indazol-4-yl]methanesulfonamide
CID 155536089
N-[1-[(3R)-2-hydroxy-3-[4-(trifluoromethyl)phenyl]pentan-3-yl]indazol-4-yl]methanesulfonamide
CID 155545121

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(4-chlorophenyl)-2-hydroxypentan-3-yl]indazol-4-yl]methanesulfonamide?
The IUPAC name of N-[1-[3-(4-chlorophenyl)-2-hydroxypentan-3-yl]indazol-4-yl]methanesulfonamide (CID 70562766) is N-[1-[3-(4-chlorophenyl)-2-hydroxypentan-3-yl]indazol-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[3-(4-chlorophenyl)-2-hydroxypentan-3-yl]indazol-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-[3-(4-chlorophenyl)-2-hydroxypentan-3-yl]indazol-4-yl]methanesulfonamide is CCC(c1ccc(Cl)cc1)(C(C)O)n1ncc2c(NS(C)(=O)=O)cccc21.
What is the InChIKey of N-[1-[3-(4-chlorophenyl)-2-hydroxypentan-3-yl]indazol-4-yl]methanesulfonamide?
The InChIKey is WJZLBPYHQLTFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O3S/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-chlorophenyl)-2-hydroxypentan-3-yl]indazol-4-yl]methanesulfonamide?
N-[1-[3-(4-chlorophenyl)-2-hydroxypentan-3-yl]indazol-4-yl]methanesulfonamide has a molecular weight of 407.92 g/mol, XLogP of 3.60, 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-chlorophenyl)-2-hydroxypentan-3-yl]indazol-4-yl]methanesulfonamide is sourced from PubChem (CID 70562766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).