3-(dimethylsulfamoyl)-N-(1H-indazol-6-yl)-5-(thiophen-3-ylmethylamino)benzamide

C21H21N5O3S2 — CID 26227458

IUPAC3-(dimethylsulfamoyl)-N-(1H-indazol-6-yl)-5-(thiophen-3-ylmethylamino)benzamide
SMILESCN(C)S(=O)(=O)c1cc(NCc2ccsc2)cc(C(=O)Nc2ccc3cn[nH]c3c2)c1
InChIInChI=1S/C21H21N5O3S2/c1-26(2)31(28,29)19-8-16(7-18(9-19)22-11-14-5-6-30-13-14)21(27)24-17-4-3-15-12-23-25-20(15)10-17/h3-10,12-13,22H,11H2,1-2H3,(H,23,25)(H,24,27)
InChIKeyCSKZNOHRVUKCBT-UHFFFAOYSA-N
MW455.57 g/mol
LogP3.74
Rot. Bonds7

About 3-(dimethylsulfamoyl)-N-(1H-indazol-6-yl)-5-(thiophen-3-ylmethylamino)benzamide

3-(dimethylsulfamoyl)-N-(1H-indazol-6-yl)-5-(thiophen-3-ylmethylamino)benzamide (PubChem CID 26227458) has the molecular formula C21H21N5O3S2 and a molecular weight of 455.57 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-N-(1H-indazol-6-yl)-5-(thiophen-3-ylmethylamino)benzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-N-(1H-indazol-6-yl)-5-(thiophen-3-ylmethylamino)benzamide
PubChem CID26227458
Molecular FormulaC21H21N5O3S2
Molecular Weight455.57 g/mol
Exact Mass455.11
IUPAC Name3-(dimethylsulfamoyl)-N-(1H-indazol-6-yl)-5-(thiophen-3-ylmethylamino)benzamide
SMILESCN(C)S(=O)(=O)c1cc(NCc2ccsc2)cc(C(=O)Nc2ccc3cn[nH]c3c2)c1
InChIInChI=1S/C21H21N5O3S2/c1-26(2)31(28,29)19-8-16(7-18(9-19)22-11-14-5-6-30-13-14)21(27)24-17-4-3-15-12-23-25-20(15)10-17/h3-10,12-13,22H,11H2,1-2H3,(H,23,25)(H,24,27)
InChIKeyCSKZNOHRVUKCBT-UHFFFAOYSA-N
XLogP3.74
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.57
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-(dimethylsulfamoyl)-N-(1H-indazol-6-yl)-5-[(5-methylthiophen-2-yl)methylamino]benzamide
CID 26139855
3-amino-5-(dimethylsulfamoyl)-N-(1H-indazol-6-yl)benzamide
CID 118760029
N-(2-acetamidoethyl)-3-(dimethylsulfamoyl)-5-(thiophen-3-ylmethylamino)benzamide
CID 26227326
1-[3-(dimethylsulfamoyl)phenyl]-3-(1H-indazol-6-yl)thiourea
CID 4235162
N-(1H-indazol-6-yl)-3,5-dimethylbenzamide
CID 36560760
N-(thiophen-3-ylmethyl)-1H-indazol-5-amine
CID 43690874
N-(1H-indazol-6-yl)-2H-benzotriazole-5-carboxamide
CID 36561248
methyl 4-(1H-indazol-6-ylcarbamoyl)benzoate
CID 121088219
4-[[(3-chloro-1,4-dioxonaphthalen-2-yl)amino]methyl]-N-(1H-indazol-6-yl)benzamide
CID 126485536
N-(3,5-dimethoxyphenyl)-3-(dimethylsulfamoyl)-5-(thiophen-2-ylmethylamino)benzamide
CID 26143018
3-[(1H-indazol-6-ylamino)methyl]benzamide
CID 63277483
4-bromo-N-(1H-indazol-6-yl)-3-methylbenzamide
CID 115769574

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-N-(1H-indazol-6-yl)-5-(thiophen-3-ylmethylamino)benzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-N-(1H-indazol-6-yl)-5-(thiophen-3-ylmethylamino)benzamide (CID 26227458) is 3-(dimethylsulfamoyl)-N-(1H-indazol-6-yl)-5-(thiophen-3-ylmethylamino)benzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-N-(1H-indazol-6-yl)-5-(thiophen-3-ylmethylamino)benzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-N-(1H-indazol-6-yl)-5-(thiophen-3-ylmethylamino)benzamide is CN(C)S(=O)(=O)c1cc(NCc2ccsc2)cc(C(=O)Nc2ccc3cn[nH]c3c2)c1.
What is the InChIKey of 3-(dimethylsulfamoyl)-N-(1H-indazol-6-yl)-5-(thiophen-3-ylmethylamino)benzamide?
The InChIKey is CSKZNOHRVUKCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3S2/c1-26(2)31(28,29)19-8-16(7-18(9-19)22-11-14-5-6-30-13-14)21(27)24-17-4-3-15-12-23-25-20(15)10-17/h3-10,12-13,22H,11H2,1-2H3,(H,23,25)(H,24,27).
What are the key properties of 3-(dimethylsulfamoyl)-N-(1H-indazol-6-yl)-5-(thiophen-3-ylmethylamino)benzamide?
3-(dimethylsulfamoyl)-N-(1H-indazol-6-yl)-5-(thiophen-3-ylmethylamino)benzamide has a molecular weight of 455.57 g/mol, XLogP of 3.74, 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-(thiophen-3-ylmethylamino)benzamide is sourced from PubChem (CID 26227458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).