N-[6-[3-[(diethylsulfamoylamino)methyl]phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide

C22H27N5O3S — CID 155535406

IUPACN-[6-[3-[(diethylsulfamoylamino)methyl]phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide
SMILESCCN(CC)S(=O)(=O)NCc1cccc(-c2ccc3c(NC(=O)C4CC4)n[nH]c3c2)c1
InChIInChI=1S/C22H27N5O3S/c1-3-27(4-2)31(29,30)23-14-15-6-5-7-17(12-15)18-10-11-19-20(13-18)25-26-21(19)24-22(28)16-8-9-16/h5-7,10-13,16,23H,3-4,8-9,14H2,1-2H3,(H2,24,25,26,28)
InChIKeyINTMVZKGQXMUML-UHFFFAOYSA-N
MW441.56 g/mol
LogP3.25
Rot. Bonds9

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

N-[6-[3-[(diethylsulfamoylamino)methyl]phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide (PubChem CID 155535406) has the molecular formula C22H27N5O3S and a molecular weight of 441.56 g/mol. Its IUPAC name is N-[6-[3-[(diethylsulfamoylamino)methyl]phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-[3-[(diethylsulfamoylamino)methyl]phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide
PubChem CID155535406
Molecular FormulaC22H27N5O3S
Molecular Weight441.56 g/mol
Exact Mass441.18
IUPAC NameN-[6-[3-[(diethylsulfamoylamino)methyl]phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide
SMILESCCN(CC)S(=O)(=O)NCc1cccc(-c2ccc3c(NC(=O)C4CC4)n[nH]c3c2)c1
InChIInChI=1S/C22H27N5O3S/c1-3-27(4-2)31(29,30)23-14-15-6-5-7-17(12-15)18-10-11-19-20(13-18)25-26-21(19)24-22(28)16-8-9-16/h5-7,10-13,16,23H,3-4,8-9,14H2,1-2H3,(H2,24,25,26,28)
InChIKeyINTMVZKGQXMUML-UHFFFAOYSA-N
XLogP3.25
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.56
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-[3-[(diethylsulfamoylamino)methyl]phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[6-[3-[(diethylsulfamoylamino)methyl]phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide (CID 155535406) is N-[6-[3-[(diethylsulfamoylamino)methyl]phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-[3-[(diethylsulfamoylamino)methyl]phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-[3-[(diethylsulfamoylamino)methyl]phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide is CCN(CC)S(=O)(=O)NCc1cccc(-c2ccc3c(NC(=O)C4CC4)n[nH]c3c2)c1.
What is the InChIKey of N-[6-[3-[(diethylsulfamoylamino)methyl]phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide?
The InChIKey is INTMVZKGQXMUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O3S/c1-3-27(4-2)31(29,30)23-14-15-6-5-7-17(12-15)18-10-11-19-20(13-18)25-26-21(19)24-22(28)16-8-9-16/h5-7,10-13,16,23H,3-4,8-9,14H2,1-2H3,(H2,24,25,26,28).
What are the key properties of N-[6-[3-[(diethylsulfamoylamino)methyl]phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide?
N-[6-[3-[(diethylsulfamoylamino)methyl]phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide has a molecular weight of 441.56 g/mol, XLogP of 3.25, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[3-[(diethylsulfamoylamino)methyl]phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 155535406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).