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

C19H21N5O3S — CID 137349552

IUPACN-[6-[3-(dimethylsulfamoylamino)phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide
SMILESCN(C)S(=O)(=O)Nc1cccc(-c2ccc3c(NC(=O)C4CC4)n[nH]c3c2)c1
InChIInChI=1S/C19H21N5O3S/c1-24(2)28(26,27)23-15-5-3-4-13(10-15)14-8-9-16-17(11-14)21-22-18(16)20-19(25)12-6-7-12/h3-5,8-12,23H,6-7H2,1-2H3,(H2,20,21,22,25)
InChIKeyGXQWWDBZTZLIAJ-UHFFFAOYSA-N
MW399.48 g/mol
LogP2.80
Rot. Bonds6

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

N-[6-[3-(dimethylsulfamoylamino)phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide (PubChem CID 137349552) has the molecular formula C19H21N5O3S and a molecular weight of 399.48 g/mol. Its IUPAC name is N-[6-[3-(dimethylsulfamoylamino)phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-[3-(dimethylsulfamoylamino)phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide
PubChem CID137349552
Molecular FormulaC19H21N5O3S
Molecular Weight399.48 g/mol
Exact Mass399.14
IUPAC NameN-[6-[3-(dimethylsulfamoylamino)phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide
SMILESCN(C)S(=O)(=O)Nc1cccc(-c2ccc3c(NC(=O)C4CC4)n[nH]c3c2)c1
InChIInChI=1S/C19H21N5O3S/c1-24(2)28(26,27)23-15-5-3-4-13(10-15)14-8-9-16-17(11-14)21-22-18(16)20-19(25)12-6-7-12/h3-5,8-12,23H,6-7H2,1-2H3,(H2,20,21,22,25)
InChIKeyGXQWWDBZTZLIAJ-UHFFFAOYSA-N
XLogP2.80
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.48
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-[3-(dimethylsulfamoylamino)phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[6-[3-(dimethylsulfamoylamino)phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide (CID 137349552) is N-[6-[3-(dimethylsulfamoylamino)phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-[3-(dimethylsulfamoylamino)phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-[3-(dimethylsulfamoylamino)phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide is CN(C)S(=O)(=O)Nc1cccc(-c2ccc3c(NC(=O)C4CC4)n[nH]c3c2)c1.
What is the InChIKey of N-[6-[3-(dimethylsulfamoylamino)phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide?
The InChIKey is GXQWWDBZTZLIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3S/c1-24(2)28(26,27)23-15-5-3-4-13(10-15)14-8-9-16-17(11-14)21-22-18(16)20-19(25)12-6-7-12/h3-5,8-12,23H,6-7H2,1-2H3,(H2,20,21,22,25).
What are the key properties of N-[6-[3-(dimethylsulfamoylamino)phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide?
N-[6-[3-(dimethylsulfamoylamino)phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide has a molecular weight of 399.48 g/mol, XLogP of 2.80, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[3-(dimethylsulfamoylamino)phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 137349552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).