N-[6-[3-[[[ethyl(methyl)sulfamoyl]amino]methyl]phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide

C21H25N5O3S — CID 155534113

IUPACN-[6-[3-[[[ethyl(methyl)sulfamoyl]amino]methyl]phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide
SMILESCCN(C)S(=O)(=O)NCc1cccc(-c2ccc3c(NC(=O)C4CC4)n[nH]c3c2)c1
InChIInChI=1S/C21H25N5O3S/c1-3-26(2)30(28,29)22-13-14-5-4-6-16(11-14)17-9-10-18-19(12-17)24-25-20(18)23-21(27)15-7-8-15/h4-6,9-12,15,22H,3,7-8,13H2,1-2H3,(H2,23,24,25,27)
InChIKeyYSMDVXCUNQWGNN-UHFFFAOYSA-N
MW427.53 g/mol
LogP2.86
Rot. Bonds8

About N-[6-[3-[[[ethyl(methyl)sulfamoyl]amino]methyl]phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide

N-[6-[3-[[[ethyl(methyl)sulfamoyl]amino]methyl]phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide (PubChem CID 155534113) has the molecular formula C21H25N5O3S and a molecular weight of 427.53 g/mol. Its IUPAC name is N-[6-[3-[[[ethyl(methyl)sulfamoyl]amino]methyl]phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-[3-[[[ethyl(methyl)sulfamoyl]amino]methyl]phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide
PubChem CID155534113
Molecular FormulaC21H25N5O3S
Molecular Weight427.53 g/mol
Exact Mass427.17
IUPAC NameN-[6-[3-[[[ethyl(methyl)sulfamoyl]amino]methyl]phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide
SMILESCCN(C)S(=O)(=O)NCc1cccc(-c2ccc3c(NC(=O)C4CC4)n[nH]c3c2)c1
InChIInChI=1S/C21H25N5O3S/c1-3-26(2)30(28,29)22-13-14-5-4-6-16(11-14)17-9-10-18-19(12-17)24-25-20(18)23-21(27)15-7-8-15/h4-6,9-12,15,22H,3,7-8,13H2,1-2H3,(H2,23,24,25,27)
InChIKeyYSMDVXCUNQWGNN-UHFFFAOYSA-N
XLogP2.86
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-[3-[[[ethyl(methyl)sulfamoyl]amino]methyl]phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[6-[3-[[[ethyl(methyl)sulfamoyl]amino]methyl]phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide (CID 155534113) is N-[6-[3-[[[ethyl(methyl)sulfamoyl]amino]methyl]phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-[3-[[[ethyl(methyl)sulfamoyl]amino]methyl]phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-[3-[[[ethyl(methyl)sulfamoyl]amino]methyl]phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide is CCN(C)S(=O)(=O)NCc1cccc(-c2ccc3c(NC(=O)C4CC4)n[nH]c3c2)c1.
What is the InChIKey of N-[6-[3-[[[ethyl(methyl)sulfamoyl]amino]methyl]phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide?
The InChIKey is YSMDVXCUNQWGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3S/c1-3-26(2)30(28,29)22-13-14-5-4-6-16(11-14)17-9-10-18-19(12-17)24-25-20(18)23-21(27)15-7-8-15/h4-6,9-12,15,22H,3,7-8,13H2,1-2H3,(H2,23,24,25,27).
What are the key properties of N-[6-[3-[[[ethyl(methyl)sulfamoyl]amino]methyl]phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide?
N-[6-[3-[[[ethyl(methyl)sulfamoyl]amino]methyl]phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide has a molecular weight of 427.53 g/mol, XLogP of 2.86, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[3-[[[ethyl(methyl)sulfamoyl]amino]methyl]phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 155534113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).