3-(dimethylsulfamoyl)-N-(1H-indazol-6-yl)-5-[(5-methylthiophen-2-yl)methylamino]benzamide

C22H23N5O3S2 — CID 26139855

IUPAC3-(dimethylsulfamoyl)-N-(1H-indazol-6-yl)-5-[(5-methylthiophen-2-yl)methylamino]benzamide
SMILESCc1ccc(CNc2cc(C(=O)Nc3ccc4cn[nH]c4c3)cc(S(=O)(=O)N(C)C)c2)s1
InChIInChI=1S/C22H23N5O3S2/c1-14-4-7-19(31-14)13-23-18-8-16(9-20(10-18)32(29,30)27(2)3)22(28)25-17-6-5-15-12-24-26-21(15)11-17/h4-12,23H,13H2,1-3H3,(H,24,26)(H,25,28)
InChIKeyNFZQKAHEFDOYEA-UHFFFAOYSA-N
MW469.59 g/mol
LogP4.05
Rot. Bonds7

About 3-(dimethylsulfamoyl)-N-(1H-indazol-6-yl)-5-[(5-methylthiophen-2-yl)methylamino]benzamide

3-(dimethylsulfamoyl)-N-(1H-indazol-6-yl)-5-[(5-methylthiophen-2-yl)methylamino]benzamide (PubChem CID 26139855) has the molecular formula C22H23N5O3S2 and a molecular weight of 469.59 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-N-(1H-indazol-6-yl)-5-[(5-methylthiophen-2-yl)methylamino]benzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-N-(1H-indazol-6-yl)-5-[(5-methylthiophen-2-yl)methylamino]benzamide
PubChem CID26139855
Molecular FormulaC22H23N5O3S2
Molecular Weight469.59 g/mol
Exact Mass469.12
IUPAC Name3-(dimethylsulfamoyl)-N-(1H-indazol-6-yl)-5-[(5-methylthiophen-2-yl)methylamino]benzamide
SMILESCc1ccc(CNc2cc(C(=O)Nc3ccc4cn[nH]c4c3)cc(S(=O)(=O)N(C)C)c2)s1
InChIInChI=1S/C22H23N5O3S2/c1-14-4-7-19(31-14)13-23-18-8-16(9-20(10-18)32(29,30)27(2)3)22(28)25-17-6-5-15-12-24-26-21(15)11-17/h4-12,23H,13H2,1-3H3,(H,24,26)(H,25,28)
InChIKeyNFZQKAHEFDOYEA-UHFFFAOYSA-N
XLogP4.05
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.59
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-(dimethylsulfamoyl)-N-(1H-indazol-6-yl)-5-(thiophen-3-ylmethylamino)benzamide
CID 26227458
3-amino-5-(dimethylsulfamoyl)-N-(1H-indazol-6-yl)benzamide
CID 118760029
N-[(5-methylthiophen-2-yl)methyl]-1H-indazole-6-carboxamide
CID 61242487
N-(1H-indazol-6-yl)-3,5-dimethylbenzamide
CID 36560760
1-[3-(dimethylsulfamoyl)phenyl]-3-(1H-indazol-6-yl)thiourea
CID 4235162
4-bromo-N-(1H-indazol-6-yl)-3-methylbenzamide
CID 115769574
N-(3,5-dimethoxyphenyl)-3-(dimethylsulfamoyl)-5-(thiophen-2-ylmethylamino)benzamide
CID 26143018
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-indazol-6-amine
CID 54868500
methyl 4-(1H-indazol-6-ylcarbamoyl)benzoate
CID 121088219
N-(1H-indazol-6-yl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 110763744
N-(1H-indazol-6-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 110684914
5-bromo-N-(1H-indazol-6-yl)-4-methylthiophene-2-carboxamide
CID 79964870

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-N-(1H-indazol-6-yl)-5-[(5-methylthiophen-2-yl)methylamino]benzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-N-(1H-indazol-6-yl)-5-[(5-methylthiophen-2-yl)methylamino]benzamide (CID 26139855) is 3-(dimethylsulfamoyl)-N-(1H-indazol-6-yl)-5-[(5-methylthiophen-2-yl)methylamino]benzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-N-(1H-indazol-6-yl)-5-[(5-methylthiophen-2-yl)methylamino]benzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-N-(1H-indazol-6-yl)-5-[(5-methylthiophen-2-yl)methylamino]benzamide is Cc1ccc(CNc2cc(C(=O)Nc3ccc4cn[nH]c4c3)cc(S(=O)(=O)N(C)C)c2)s1.
What is the InChIKey of 3-(dimethylsulfamoyl)-N-(1H-indazol-6-yl)-5-[(5-methylthiophen-2-yl)methylamino]benzamide?
The InChIKey is NFZQKAHEFDOYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3S2/c1-14-4-7-19(31-14)13-23-18-8-16(9-20(10-18)32(29,30)27(2)3)22(28)25-17-6-5-15-12-24-26-21(15)11-17/h4-12,23H,13H2,1-3H3,(H,24,26)(H,25,28).
What are the key properties of 3-(dimethylsulfamoyl)-N-(1H-indazol-6-yl)-5-[(5-methylthiophen-2-yl)methylamino]benzamide?
3-(dimethylsulfamoyl)-N-(1H-indazol-6-yl)-5-[(5-methylthiophen-2-yl)methylamino]benzamide has a molecular weight of 469.59 g/mol, XLogP of 4.05, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-N-(1H-indazol-6-yl)-5-[(5-methylthiophen-2-yl)methylamino]benzamide is sourced from PubChem (CID 26139855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).