2-(2-methylphenyl)-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide

C22H20N4O3S — CID 67453874

IUPAC2-(2-methylphenyl)-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide
SMILESCc1ccccc1CC(=O)Nc1ccc2[nH]nc(-c3cccc(S(N)(=O)=O)c3)c2c1
InChIInChI=1S/C22H20N4O3S/c1-14-5-2-3-6-15(14)12-21(27)24-17-9-10-20-19(13-17)22(26-25-20)16-7-4-8-18(11-16)30(23,28)29/h2-11,13H,12H2,1H3,(H,24,27)(H,25,26)(H2,23,28,29)
InChIKeyBOWODCPNXHVMPZ-UHFFFAOYSA-N
MW420.49 g/mol
LogP3.37
Rot. Bonds5

About 2-(2-methylphenyl)-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide

2-(2-methylphenyl)-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide (PubChem CID 67453874) has the molecular formula C22H20N4O3S and a molecular weight of 420.49 g/mol. Its IUPAC name is 2-(2-methylphenyl)-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(2-methylphenyl)-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide
PubChem CID67453874
Molecular FormulaC22H20N4O3S
Molecular Weight420.49 g/mol
Exact Mass420.13
IUPAC Name2-(2-methylphenyl)-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide
SMILESCc1ccccc1CC(=O)Nc1ccc2[nH]nc(-c3cccc(S(N)(=O)=O)c3)c2c1
InChIInChI=1S/C22H20N4O3S/c1-14-5-2-3-6-15(14)12-21(27)24-17-9-10-20-19(13-17)22(26-25-20)16-7-4-8-18(11-16)30(23,28)29/h2-11,13H,12H2,1H3,(H,24,27)(H,25,26)(H2,23,28,29)
InChIKeyBOWODCPNXHVMPZ-UHFFFAOYSA-N
XLogP3.37
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-sulfamoylphenyl)-1H-indazole-3-carboxamide
CID 9926933
2-Phenyl-N-[3-(3-Sulfamoylphenyl)-2h-Indazol-5-Yl]acetamide
CID 67455813
3-amino-N-[1-(naphthalene-1-sulfonyl)-1H-indazol-5-yl]propanamide
CID 25263298
2-phenyl-N-(3-(2-phenylcyclopropyl)-1H-indazol-5-yl)acetamide
CID 16070056
3-amino-N-(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)propanamide;hydrochloride
CID 53319444
N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide
CID 53476532
(2R)-2-methoxy-2-phenyl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide
CID 53476758
1-phenyl-3-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]urea
CID 67453293
N-benzyl-N-methyl-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide
CID 67453604
2-(2,6-diethylphenyl)-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide
CID 67453714
2-ethoxy-2-phenyl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide
CID 67453950
N-[(2-methylphenyl)methyl]-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide
CID 67454968

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide?
The IUPAC name of 2-(2-methylphenyl)-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide (CID 67453874) is 2-(2-methylphenyl)-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide.
What is the SMILES notation for 2-(2-methylphenyl)-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide?
The canonical SMILES for 2-(2-methylphenyl)-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide is Cc1ccccc1CC(=O)Nc1ccc2[nH]nc(-c3cccc(S(N)(=O)=O)c3)c2c1.
What is the InChIKey of 2-(2-methylphenyl)-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide?
The InChIKey is BOWODCPNXHVMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3S/c1-14-5-2-3-6-15(14)12-21(27)24-17-9-10-20-19(13-17)22(26-25-20)16-7-4-8-18(11-16)30(23,28)29/h2-11,13H,12H2,1H3,(H,24,27)(H,25,26)(H2,23,28,29).
What are the key properties of 2-(2-methylphenyl)-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide?
2-(2-methylphenyl)-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide has a molecular weight of 420.49 g/mol, XLogP of 3.37, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide is sourced from PubChem (CID 67453874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).