N-[2-chloro-5-[[(3R)-3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenyl]methanesulfonamide

C20H24ClN5O2S — CID 44594371

IUPACN-[2-chloro-5-[[(3R)-3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(CN2CCC[C@@H](Nc3ccc4[nH]ncc4c3)C2)ccc1Cl
InChIInChI=1S/C20H24ClN5O2S/c1-29(27,28)25-20-9-14(4-6-18(20)21)12-26-8-2-3-17(13-26)23-16-5-7-19-15(10-16)11-22-24-19/h4-7,9-11,17,23,25H,2-3,8,12-13H2,1H3,(H,22,24)/t17-/m1/s1
InChIKeyUVIWSVMESNYYMT-QGZVFWFLSA-N
MW433.97 g/mol
LogP3.66
Rot. Bonds6

About N-[2-chloro-5-[[(3R)-3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenyl]methanesulfonamide

N-[2-chloro-5-[[(3R)-3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenyl]methanesulfonamide (PubChem CID 44594371) has the molecular formula C20H24ClN5O2S and a molecular weight of 433.97 g/mol. Its IUPAC name is N-[2-chloro-5-[[(3R)-3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-chloro-5-[[(3R)-3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenyl]methanesulfonamide
PubChem CID44594371
Molecular FormulaC20H24ClN5O2S
Molecular Weight433.97 g/mol
Exact Mass433.13
IUPAC NameN-[2-chloro-5-[[(3R)-3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(CN2CCC[C@@H](Nc3ccc4[nH]ncc4c3)C2)ccc1Cl
InChIInChI=1S/C20H24ClN5O2S/c1-29(27,28)25-20-9-14(4-6-18(20)21)12-26-8-2-3-17(13-26)23-16-5-7-19-15(10-16)11-22-24-19/h4-7,9-11,17,23,25H,2-3,8,12-13H2,1H3,(H,22,24)/t17-/m1/s1
InChIKeyUVIWSVMESNYYMT-QGZVFWFLSA-N
XLogP3.66
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.97
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[2-chloro-5-[[(3R)-3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenyl]methanesulfonamide with MolForge

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Related Compounds

N-[5-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]-2-methoxyphenyl]methanesulfonamide
CID 57479972
N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
CID 44599070
N-[3-[[(3S)-3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]-2-methylphenyl]methanesulfonamide
CID 58022478
N-[1-[[3-(methylsulfonylmethyl)phenyl]methyl]piperidin-3-yl]-1H-indazol-5-amine
CID 25009015
N-[1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]-1H-indazol-5-amine
CID 57446054
N-[5-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]-2-methylphenyl]methanesulfinamide
CID 143919543
N-[(3S)-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
CID 44594373
N-[(3S)-1-[(4-ethylsulfanylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
CID 58022462
N-[3-[[(3R)-3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenyl]-N-methylmethanesulfonamide
CID 58022548
N-[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenyl]-N-methylmethanesulfonamide
CID 25010600
N-[(3R)-1-[(3-methylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
CID 58022538
N-[(3R)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-1H-indazol-5-amine
CID 58022546

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-[[(3R)-3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenyl]methanesulfonamide?
The IUPAC name of N-[2-chloro-5-[[(3R)-3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenyl]methanesulfonamide (CID 44594371) is N-[2-chloro-5-[[(3R)-3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-chloro-5-[[(3R)-3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[2-chloro-5-[[(3R)-3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1cc(CN2CCC[C@@H](Nc3ccc4[nH]ncc4c3)C2)ccc1Cl.
What is the InChIKey of N-[2-chloro-5-[[(3R)-3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenyl]methanesulfonamide?
The InChIKey is UVIWSVMESNYYMT-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H24ClN5O2S/c1-29(27,28)25-20-9-14(4-6-18(20)21)12-26-8-2-3-17(13-26)23-16-5-7-19-15(10-16)11-22-24-19/h4-7,9-11,17,23,25H,2-3,8,12-13H2,1H3,(H,22,24)/t17-/m1/s1.
What are the key properties of N-[2-chloro-5-[[(3R)-3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenyl]methanesulfonamide?
N-[2-chloro-5-[[(3R)-3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenyl]methanesulfonamide has a molecular weight of 433.97 g/mol, XLogP of 3.66, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-[[(3R)-3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenyl]methanesulfonamide is sourced from PubChem (CID 44594371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).