N-[4-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]phenyl]methanesulfonamide

C18H20ClN5O2S — CID 146647459

IUPACN-[4-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(N2CCN(c3cc(Cl)cc4[nH]ncc34)CC2)cc1
InChIInChI=1S/C18H20ClN5O2S/c1-27(25,26)22-14-2-4-15(5-3-14)23-6-8-24(9-7-23)18-11-13(19)10-17-16(18)12-20-21-17/h2-5,10-12,22H,6-9H2,1H3,(H,20,21)
InChIKeyWCLVDMCSSGLOSH-UHFFFAOYSA-N
MW405.91 g/mol
LogP2.91
Rot. Bonds4

About N-[4-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]phenyl]methanesulfonamide

N-[4-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]phenyl]methanesulfonamide (PubChem CID 146647459) has the molecular formula C18H20ClN5O2S and a molecular weight of 405.91 g/mol. Its IUPAC name is N-[4-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]phenyl]methanesulfonamide
PubChem CID146647459
Molecular FormulaC18H20ClN5O2S
Molecular Weight405.91 g/mol
Exact Mass405.10
IUPAC NameN-[4-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(N2CCN(c3cc(Cl)cc4[nH]ncc34)CC2)cc1
InChIInChI=1S/C18H20ClN5O2S/c1-27(25,26)22-14-2-4-15(5-3-14)23-6-8-24(9-7-23)18-11-13(19)10-17-16(18)12-20-21-17/h2-5,10-12,22H,6-9H2,1H3,(H,20,21)
InChIKeyWCLVDMCSSGLOSH-UHFFFAOYSA-N
XLogP2.91
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.91
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

6-chloro-4-pyrrolidin-1-yl-1H-indazole
CID 138559858
S-methyl 4-(6-chloro-1H-indazol-4-yl)piperazine-1-carbothioate
CID 146647514
1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-2-fluoro-2-methylpropan-1-one
CID 121326428
1-(6-chloro-1H-indazol-4-yl)-N-methylpiperidine-4-carboxamide
CID 121326810
N-[4-(4-pyridin-4-ylpiperazin-1-yl)phenyl]methanesulfonamide
CID 15735407
6-chloro-4-[(2S)-2-methyl-4-methylsulfonylpiperazin-1-yl]-1H-indazole
CID 121326167
1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]pyrrolidin-2-ol
CID 146516487
1-[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]ethanone
CID 158303166
8-(6-chloro-1H-indazol-4-yl)-3-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 121326774
6-bromo-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(6-bromo-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone;1-[7-(6-chloro-1H-indazol-4-yl)-4,7-diazaspiro[2.5]octan-4-yl]ethanone;6-chloro-4-(4-methylsulfonyl-4,7-diazaspiro[2.5]octan-7-yl)-1H-indazole;6-chloro-4-(4-phenylpiperazin-1-yl)-1H-indazole
CID 159119891
6-chloro-4-[4-(4-methylphenyl)piperidin-1-yl]-1H-indazole;S-methylthiohydroxylamine
CID 145075688
3-(6-chloro-1H-indazol-4-yl)-3,10-diazaspiro[5.6]dodecan-9-one
CID 121326664

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]phenyl]methanesulfonamide (CID 146647459) is N-[4-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(N2CCN(c3cc(Cl)cc4[nH]ncc34)CC2)cc1.
What is the InChIKey of N-[4-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]phenyl]methanesulfonamide?
The InChIKey is WCLVDMCSSGLOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5O2S/c1-27(25,26)22-14-2-4-15(5-3-14)23-6-8-24(9-7-23)18-11-13(19)10-17-16(18)12-20-21-17/h2-5,10-12,22H,6-9H2,1H3,(H,20,21).
What are the key properties of N-[4-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]phenyl]methanesulfonamide?
N-[4-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]phenyl]methanesulfonamide has a molecular weight of 405.91 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 146647459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).