N-[3-(1-methylpiperidin-4-yl)-2H-indazol-5-yl]benzenesulfonamide

C19H22N4O2S — CID 11566896

IUPACN-[3-(1-methylpiperidin-4-yl)-2H-indazol-5-yl]benzenesulfonamide
SMILESCN1CCC(c2[nH]nc3ccc(NS(=O)(=O)c4ccccc4)cc23)CC1
InChIInChI=1S/C19H22N4O2S/c1-23-11-9-14(10-12-23)19-17-13-15(7-8-18(17)20-21-19)22-26(24,25)16-5-3-2-4-6-16/h2-8,13-14,22H,9-12H2,1H3,(H,20,21)
InChIKeyXRMZXKLZAIETHE-UHFFFAOYSA-N
MW370.48 g/mol
LogP3.17
Rot. Bonds4

About N-[3-(1-methylpiperidin-4-yl)-2H-indazol-5-yl]benzenesulfonamide

N-[3-(1-methylpiperidin-4-yl)-2H-indazol-5-yl]benzenesulfonamide (PubChem CID 11566896) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is N-[3-(1-methylpiperidin-4-yl)-2H-indazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(1-methylpiperidin-4-yl)-2H-indazol-5-yl]benzenesulfonamide
PubChem CID11566896
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC NameN-[3-(1-methylpiperidin-4-yl)-2H-indazol-5-yl]benzenesulfonamide
SMILESCN1CCC(c2[nH]nc3ccc(NS(=O)(=O)c4ccccc4)cc23)CC1
InChIInChI=1S/C19H22N4O2S/c1-23-11-9-14(10-12-23)19-17-13-15(7-8-18(17)20-21-19)22-26(24,25)16-5-3-2-4-6-16/h2-8,13-14,22H,9-12H2,1H3,(H,20,21)
InChIKeyXRMZXKLZAIETHE-UHFFFAOYSA-N
XLogP3.17
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-methylpiperidin-4-yl)-5-pentylsulfonyl-2H-indazole
CID 69012104
N-[2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-yl]benzenesulfonamide;hydrochloride
CID 68776069
(3-cyclohexyl-2H-indazol-6-yl)sulfamic acid
CID 67219643
4-(benzenesulfonamido)-2-chloro-N-(1-methylpiperidin-4-yl)benzamide
CID 99972488
6-(benzenesulfonamido)-2-(4-ethylpiperazin-1-yl)quinoline-4-carboxylic acid
CID 50773023
5-(benzenesulfonamido)-2-(4-methylpiperazin-1-yl)benzoic acid
CID 50766128
3-(benzenesulfonyl)-5-(4-methylpiperazin-1-yl)-2H-indazole
CID 10383646
N-[1-(4-fluorophenyl)-3-[(4-methylpiperazin-1-yl)methyl]indol-5-yl]benzenesulfonamide
CID 134096072
N-quinoxalin-6-ylbenzenesulfonamide
CID 3860445
N-[3-[(3-chloro-1-methylpiperidin-4-yl)amino]-4-methylphenyl]benzenesulfonamide
CID 142707558
N-[4-chloro-3-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
CID 46771316
N-(3,4-dichlorophenyl)-3-methyl-2H-indazole-5-sulfonamide
CID 22567293

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-methylpiperidin-4-yl)-2H-indazol-5-yl]benzenesulfonamide?
The IUPAC name of N-[3-(1-methylpiperidin-4-yl)-2H-indazol-5-yl]benzenesulfonamide (CID 11566896) is N-[3-(1-methylpiperidin-4-yl)-2H-indazol-5-yl]benzenesulfonamide.
What is the SMILES notation for N-[3-(1-methylpiperidin-4-yl)-2H-indazol-5-yl]benzenesulfonamide?
The canonical SMILES for N-[3-(1-methylpiperidin-4-yl)-2H-indazol-5-yl]benzenesulfonamide is CN1CCC(c2[nH]nc3ccc(NS(=O)(=O)c4ccccc4)cc23)CC1.
What is the InChIKey of N-[3-(1-methylpiperidin-4-yl)-2H-indazol-5-yl]benzenesulfonamide?
The InChIKey is XRMZXKLZAIETHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-23-11-9-14(10-12-23)19-17-13-15(7-8-18(17)20-21-19)22-26(24,25)16-5-3-2-4-6-16/h2-8,13-14,22H,9-12H2,1H3,(H,20,21).
What are the key properties of N-[3-(1-methylpiperidin-4-yl)-2H-indazol-5-yl]benzenesulfonamide?
N-[3-(1-methylpiperidin-4-yl)-2H-indazol-5-yl]benzenesulfonamide has a molecular weight of 370.48 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-methylpiperidin-4-yl)-2H-indazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 11566896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).