2-chloro-N-[1-(4-chlorophenyl)indazol-4-yl]-5-[(cyclopropylsulfonylamino)methyl]benzamide

C24H20Cl2N4O3S — CID 168968053

IUPAC2-chloro-N-[1-(4-chlorophenyl)indazol-4-yl]-5-[(cyclopropylsulfonylamino)methyl]benzamide
SMILESO=C(Nc1cccc2c1cnn2-c1ccc(Cl)cc1)c1cc(CNS(=O)(=O)C2CC2)ccc1Cl
InChIInChI=1S/C24H20Cl2N4O3S/c25-16-5-7-17(8-6-16)30-23-3-1-2-22(20(23)14-27-30)29-24(31)19-12-15(4-11-21(19)26)13-28-34(32,33)18-9-10-18/h1-8,11-12,14,18,28H,9-10,13H2,(H,29,31)
InChIKeyPGZGVDZYALBEFF-UHFFFAOYSA-N
MW515.42 g/mol
LogP5.17
Rot. Bonds7

About 2-chloro-N-[1-(4-chlorophenyl)indazol-4-yl]-5-[(cyclopropylsulfonylamino)methyl]benzamide

2-chloro-N-[1-(4-chlorophenyl)indazol-4-yl]-5-[(cyclopropylsulfonylamino)methyl]benzamide (PubChem CID 168968053) has the molecular formula C24H20Cl2N4O3S and a molecular weight of 515.42 g/mol. Its IUPAC name is 2-chloro-N-[1-(4-chlorophenyl)indazol-4-yl]-5-[(cyclopropylsulfonylamino)methyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[1-(4-chlorophenyl)indazol-4-yl]-5-[(cyclopropylsulfonylamino)methyl]benzamide
PubChem CID168968053
Molecular FormulaC24H20Cl2N4O3S
Molecular Weight515.42 g/mol
Exact Mass514.06
IUPAC Name2-chloro-N-[1-(4-chlorophenyl)indazol-4-yl]-5-[(cyclopropylsulfonylamino)methyl]benzamide
SMILESO=C(Nc1cccc2c1cnn2-c1ccc(Cl)cc1)c1cc(CNS(=O)(=O)C2CC2)ccc1Cl
InChIInChI=1S/C24H20Cl2N4O3S/c25-16-5-7-17(8-6-16)30-23-3-1-2-22(20(23)14-27-30)29-24(31)19-12-15(4-11-21(19)26)13-28-34(32,33)18-9-10-18/h1-8,11-12,14,18,28H,9-10,13H2,(H,29,31)
InChIKeyPGZGVDZYALBEFF-UHFFFAOYSA-N
XLogP5.17
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.42
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-5-[(cyclopropylsulfonylamino)methyl]-N-[1-(6-methoxy-3-pyridinyl)indazol-4-yl]benzamide
CID 168968233
2-chloro-N-[1-(4-chlorophenyl)indazol-4-yl]-5-[[(2-methoxyacetyl)amino]methyl]benzamide
CID 168968066
2-chloro-5-[(2,2-dimethylpropanoylamino)methyl]-N-[1-(5-methyl-3-pyridinyl)indazol-4-yl]benzamide
CID 168968324
5-[(butanoylamino)methyl]-2-chloro-N-[1-[4-(trifluoromethyl)phenyl]indazol-4-yl]benzamide
CID 168968124
2-chloro-5-[(2,2-dimethylpropanoylamino)methyl]-N-[1-(6-methyl-3-pyridinyl)indazol-4-yl]benzamide
CID 168968152
2-chloro-5-[(2,2-dimethylpropanoylamino)methyl]-N-[1-(3-methoxyphenyl)indazol-4-yl]benzamide
CID 168968275
2-chloro-5-[(2,2-dimethylpropanoylamino)methyl]-N-[1-(6-methoxy-3-pyridinyl)indazol-4-yl]benzamide
CID 168968273
5-[(but-2-ynoylamino)methyl]-2-chloro-N-[1-[4-(trifluoromethyl)phenyl]indazol-4-yl]benzamide
CID 168968091
2-chloro-N-[1-(6-cyano-3-pyridinyl)indazol-4-yl]-5-[(2,2-dimethylpropanoylamino)methyl]benzamide
CID 168968017
tert-butyl N-[[4-chloro-3-[[1-[3-(trifluoromethoxy)phenyl]indazol-4-yl]carbamoyl]phenyl]methyl]carbamate
CID 168967980
2-chloro-5-[[(2-methoxyacetyl)amino]methyl]-N-[1-(1,3-thiazol-2-yl)indazol-4-yl]benzamide
CID 168967991
2-chloro-5-[(cyclopentanecarbonylamino)methyl]-N-[1-[2-methyl-4-(trifluoromethoxy)phenyl]indazol-4-yl]benzamide
CID 168967998

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(4-chlorophenyl)indazol-4-yl]-5-[(cyclopropylsulfonylamino)methyl]benzamide?
The IUPAC name of 2-chloro-N-[1-(4-chlorophenyl)indazol-4-yl]-5-[(cyclopropylsulfonylamino)methyl]benzamide (CID 168968053) is 2-chloro-N-[1-(4-chlorophenyl)indazol-4-yl]-5-[(cyclopropylsulfonylamino)methyl]benzamide.
What is the SMILES notation for 2-chloro-N-[1-(4-chlorophenyl)indazol-4-yl]-5-[(cyclopropylsulfonylamino)methyl]benzamide?
The canonical SMILES for 2-chloro-N-[1-(4-chlorophenyl)indazol-4-yl]-5-[(cyclopropylsulfonylamino)methyl]benzamide is O=C(Nc1cccc2c1cnn2-c1ccc(Cl)cc1)c1cc(CNS(=O)(=O)C2CC2)ccc1Cl.
What is the InChIKey of 2-chloro-N-[1-(4-chlorophenyl)indazol-4-yl]-5-[(cyclopropylsulfonylamino)methyl]benzamide?
The InChIKey is PGZGVDZYALBEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2N4O3S/c25-16-5-7-17(8-6-16)30-23-3-1-2-22(20(23)14-27-30)29-24(31)19-12-15(4-11-21(19)26)13-28-34(32,33)18-9-10-18/h1-8,11-12,14,18,28H,9-10,13H2,(H,29,31).
What are the key properties of 2-chloro-N-[1-(4-chlorophenyl)indazol-4-yl]-5-[(cyclopropylsulfonylamino)methyl]benzamide?
2-chloro-N-[1-(4-chlorophenyl)indazol-4-yl]-5-[(cyclopropylsulfonylamino)methyl]benzamide has a molecular weight of 515.42 g/mol, XLogP of 5.17, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(4-chlorophenyl)indazol-4-yl]-5-[(cyclopropylsulfonylamino)methyl]benzamide is sourced from PubChem (CID 168968053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).