N-[1-[1-(4-chlorophenyl)-1-[2-(dimethylamino)cyclopropyl]propyl]indazol-4-yl]methanesulfonamide

C22H27ClN4O2S — CID 123528792

IUPACN-[1-[1-(4-chlorophenyl)-1-[2-(dimethylamino)cyclopropyl]propyl]indazol-4-yl]methanesulfonamide
SMILESCCC(c1ccc(Cl)cc1)(C1CC1N(C)C)n1ncc2c(NS(C)(=O)=O)cccc21
InChIInChI=1S/C22H27ClN4O2S/c1-5-22(18-13-21(18)26(2)3,15-9-11-16(23)12-10-15)27-20-8-6-7-19(17(20)14-24-27)25-30(4,28)29/h6-12,14,18,21,25H,5,13H2,1-4H3
InChIKeyDPOWFSOBFPRHSS-UHFFFAOYSA-N
MW447.00 g/mol
LogP4.16
Rot. Bonds7

About N-[1-[1-(4-chlorophenyl)-1-[2-(dimethylamino)cyclopropyl]propyl]indazol-4-yl]methanesulfonamide

N-[1-[1-(4-chlorophenyl)-1-[2-(dimethylamino)cyclopropyl]propyl]indazol-4-yl]methanesulfonamide (PubChem CID 123528792) has the molecular formula C22H27ClN4O2S and a molecular weight of 447.00 g/mol. Its IUPAC name is N-[1-[1-(4-chlorophenyl)-1-[2-(dimethylamino)cyclopropyl]propyl]indazol-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[1-(4-chlorophenyl)-1-[2-(dimethylamino)cyclopropyl]propyl]indazol-4-yl]methanesulfonamide
PubChem CID123528792
Molecular FormulaC22H27ClN4O2S
Molecular Weight447.00 g/mol
Exact Mass446.15
IUPAC NameN-[1-[1-(4-chlorophenyl)-1-[2-(dimethylamino)cyclopropyl]propyl]indazol-4-yl]methanesulfonamide
SMILESCCC(c1ccc(Cl)cc1)(C1CC1N(C)C)n1ncc2c(NS(C)(=O)=O)cccc21
InChIInChI=1S/C22H27ClN4O2S/c1-5-22(18-13-21(18)26(2)3,15-9-11-16(23)12-10-15)27-20-8-6-7-19(17(20)14-24-27)25-30(4,28)29/h6-12,14,18,21,25H,5,13H2,1-4H3
InChIKeyDPOWFSOBFPRHSS-UHFFFAOYSA-N
XLogP4.16
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.00
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(4-chlorophenyl)-1-[2-(dimethylamino)cyclopropyl]propyl]indazol-4-yl]methanesulfonamide?
The IUPAC name of N-[1-[1-(4-chlorophenyl)-1-[2-(dimethylamino)cyclopropyl]propyl]indazol-4-yl]methanesulfonamide (CID 123528792) is N-[1-[1-(4-chlorophenyl)-1-[2-(dimethylamino)cyclopropyl]propyl]indazol-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[1-(4-chlorophenyl)-1-[2-(dimethylamino)cyclopropyl]propyl]indazol-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-[1-(4-chlorophenyl)-1-[2-(dimethylamino)cyclopropyl]propyl]indazol-4-yl]methanesulfonamide is CCC(c1ccc(Cl)cc1)(C1CC1N(C)C)n1ncc2c(NS(C)(=O)=O)cccc21.
What is the InChIKey of N-[1-[1-(4-chlorophenyl)-1-[2-(dimethylamino)cyclopropyl]propyl]indazol-4-yl]methanesulfonamide?
The InChIKey is DPOWFSOBFPRHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN4O2S/c1-5-22(18-13-21(18)26(2)3,15-9-11-16(23)12-10-15)27-20-8-6-7-19(17(20)14-24-27)25-30(4,28)29/h6-12,14,18,21,25H,5,13H2,1-4H3.
What are the key properties of N-[1-[1-(4-chlorophenyl)-1-[2-(dimethylamino)cyclopropyl]propyl]indazol-4-yl]methanesulfonamide?
N-[1-[1-(4-chlorophenyl)-1-[2-(dimethylamino)cyclopropyl]propyl]indazol-4-yl]methanesulfonamide has a molecular weight of 447.00 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(4-chlorophenyl)-1-[2-(dimethylamino)cyclopropyl]propyl]indazol-4-yl]methanesulfonamide is sourced from PubChem (CID 123528792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).