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

C18H20ClN3O3S — CID 70564480

IUPACN-[1-[2-(4-chlorophenyl)-1-hydroxybutan-2-yl]indazol-4-yl]methanesulfonamide
SMILESCCC(CO)(c1ccc(Cl)cc1)n1ncc2c(NS(C)(=O)=O)cccc21
InChIInChI=1S/C18H20ClN3O3S/c1-3-18(12-23,13-7-9-14(19)10-8-13)22-17-6-4-5-16(15(17)11-20-22)21-26(2,24)25/h4-11,21,23H,3,12H2,1-2H3
InChIKeyMFVGPPNQHPWGHH-UHFFFAOYSA-N
MW393.90 g/mol
LogP3.21
Rot. Bonds6

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

N-[1-[2-(4-chlorophenyl)-1-hydroxybutan-2-yl]indazol-4-yl]methanesulfonamide (PubChem CID 70564480) has the molecular formula C18H20ClN3O3S and a molecular weight of 393.90 g/mol. Its IUPAC name is N-[1-[2-(4-chlorophenyl)-1-hydroxybutan-2-yl]indazol-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[2-(4-chlorophenyl)-1-hydroxybutan-2-yl]indazol-4-yl]methanesulfonamide
PubChem CID70564480
Molecular FormulaC18H20ClN3O3S
Molecular Weight393.90 g/mol
Exact Mass393.09
IUPAC NameN-[1-[2-(4-chlorophenyl)-1-hydroxybutan-2-yl]indazol-4-yl]methanesulfonamide
SMILESCCC(CO)(c1ccc(Cl)cc1)n1ncc2c(NS(C)(=O)=O)cccc21
InChIInChI=1S/C18H20ClN3O3S/c1-3-18(12-23,13-7-9-14(19)10-8-13)22-17-6-4-5-16(15(17)11-20-22)21-26(2,24)25/h4-11,21,23H,3,12H2,1-2H3
InChIKeyMFVGPPNQHPWGHH-UHFFFAOYSA-N
XLogP3.21
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.90
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-chlorophenyl)-1-hydroxybutan-2-yl]indazol-4-yl]methanesulfonamide?
The IUPAC name of N-[1-[2-(4-chlorophenyl)-1-hydroxybutan-2-yl]indazol-4-yl]methanesulfonamide (CID 70564480) is N-[1-[2-(4-chlorophenyl)-1-hydroxybutan-2-yl]indazol-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[2-(4-chlorophenyl)-1-hydroxybutan-2-yl]indazol-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-[2-(4-chlorophenyl)-1-hydroxybutan-2-yl]indazol-4-yl]methanesulfonamide is CCC(CO)(c1ccc(Cl)cc1)n1ncc2c(NS(C)(=O)=O)cccc21.
What is the InChIKey of N-[1-[2-(4-chlorophenyl)-1-hydroxybutan-2-yl]indazol-4-yl]methanesulfonamide?
The InChIKey is MFVGPPNQHPWGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3S/c1-3-18(12-23,13-7-9-14(19)10-8-13)22-17-6-4-5-16(15(17)11-20-22)21-26(2,24)25/h4-11,21,23H,3,12H2,1-2H3.
What are the key properties of N-[1-[2-(4-chlorophenyl)-1-hydroxybutan-2-yl]indazol-4-yl]methanesulfonamide?
N-[1-[2-(4-chlorophenyl)-1-hydroxybutan-2-yl]indazol-4-yl]methanesulfonamide has a molecular weight of 393.90 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-chlorophenyl)-1-hydroxybutan-2-yl]indazol-4-yl]methanesulfonamide is sourced from PubChem (CID 70564480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).