N-(1H-indazol-6-yl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide

C20H22N4O3S — CID 2374283

IUPACN-(1H-indazol-6-yl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc3cn[nH]c3c2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C20H22N4O3S/c1-14-5-6-15(11-19(14)28(26,27)24-9-3-2-4-10-24)20(25)22-17-8-7-16-13-21-23-18(16)12-17/h5-8,11-13H,2-4,9-10H2,1H3,(H,21,23)(H,22,25)
InChIKeyIGYFOGAWVHNAOI-UHFFFAOYSA-N
MW398.49 g/mol
LogP3.30
Rot. Bonds4

About N-(1H-indazol-6-yl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide

N-(1H-indazol-6-yl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 2374283) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is N-(1H-indazol-6-yl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(1H-indazol-6-yl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
PubChem CID2374283
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC NameN-(1H-indazol-6-yl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc3cn[nH]c3c2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C20H22N4O3S/c1-14-5-6-15(11-19(14)28(26,27)24-9-3-2-4-10-24)20(25)22-17-8-7-16-13-21-23-18(16)12-17/h5-8,11-13H,2-4,9-10H2,1H3,(H,21,23)(H,22,25)
InChIKeyIGYFOGAWVHNAOI-UHFFFAOYSA-N
XLogP3.30
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(naphthalene-1-sulfonyl)-1H-indazol-6-yl]piperidine-4-carboxamide
CID 24771120
N-[1-(naphthalene-1-sulfonyl)-1H-indazol-6-yl]-3-(piperidin-1-yl)propanamide
CID 24771124
3-(methylamino)-N-[1-(naphthalene-1-sulfonyl)-1H-indazol-6-yl]propanamide
CID 25263299
3-(dimethylamino)-N-[1-(naphthalene-1-sulfonyl)-1H-indazol-6-yl]propanamide
CID 25263300
3-(diethylamino)-N-[1-(naphthalene-1-sulfonyl)-1H-indazol-6-yl]propanamide
CID 25263301
N-[1-(naphthalene-1-sulfonyl)-1H-indazol-6-yl]piperidine-3-carboxamide
CID 25263302
N-{4-[(1H-indazol-4-ylamino)sulfonyl]phenyl}acetamide
CID 1481964
N-benzyl-N-methyl-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide
CID 67453604
N-[(2-methylphenyl)methyl]-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide
CID 67454968
N-benzyl-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide
CID 67457022
N-[(2,6-diethylphenyl)methyl]-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide
CID 67457636
N-[[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]methyl]benzamide
CID 67462136

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-6-yl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(1H-indazol-6-yl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide (CID 2374283) is N-(1H-indazol-6-yl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(1H-indazol-6-yl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(1H-indazol-6-yl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide is Cc1ccc(C(=O)Nc2ccc3cn[nH]c3c2)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of N-(1H-indazol-6-yl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is IGYFOGAWVHNAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S/c1-14-5-6-15(11-19(14)28(26,27)24-9-3-2-4-10-24)20(25)22-17-8-7-16-13-21-23-18(16)12-17/h5-8,11-13H,2-4,9-10H2,1H3,(H,21,23)(H,22,25).
What are the key properties of N-(1H-indazol-6-yl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide?
N-(1H-indazol-6-yl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 398.49 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-6-yl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 2374283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).