4-chloro-N-cyclopropyl-3-[(4-fluorophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)benzamide

C22H19ClFN3O3S — CID 52547897

IUPAC4-chloro-N-cyclopropyl-3-[(4-fluorophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)benzamide
SMILESO=C(c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1)N(Cc1ccncc1)C1CC1
InChIInChI=1S/C22H19ClFN3O3S/c23-20-8-1-16(13-21(20)26-31(29,30)19-6-2-17(24)3-7-19)22(28)27(18-4-5-18)14-15-9-11-25-12-10-15/h1-3,6-13,18,26H,4-5,14H2
InChIKeyBSCYRSCZTPDFFX-UHFFFAOYSA-N
MW459.93 g/mol
LogP4.48
Rot. Bonds7

About 4-chloro-N-cyclopropyl-3-[(4-fluorophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)benzamide

4-chloro-N-cyclopropyl-3-[(4-fluorophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 52547897) has the molecular formula C22H19ClFN3O3S and a molecular weight of 459.93 g/mol. Its IUPAC name is 4-chloro-N-cyclopropyl-3-[(4-fluorophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-cyclopropyl-3-[(4-fluorophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)benzamide
PubChem CID52547897
Molecular FormulaC22H19ClFN3O3S
Molecular Weight459.93 g/mol
Exact Mass459.08
IUPAC Name4-chloro-N-cyclopropyl-3-[(4-fluorophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)benzamide
SMILESO=C(c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1)N(Cc1ccncc1)C1CC1
InChIInChI=1S/C22H19ClFN3O3S/c23-20-8-1-16(13-21(20)26-31(29,30)19-6-2-17(24)3-7-19)22(28)27(18-4-5-18)14-15-9-11-25-12-10-15/h1-3,6-13,18,26H,4-5,14H2
InChIKeyBSCYRSCZTPDFFX-UHFFFAOYSA-N
XLogP4.48
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.93
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclopropyl-3-[(4-fluorophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of 4-chloro-N-cyclopropyl-3-[(4-fluorophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)benzamide (CID 52547897) is 4-chloro-N-cyclopropyl-3-[(4-fluorophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for 4-chloro-N-cyclopropyl-3-[(4-fluorophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for 4-chloro-N-cyclopropyl-3-[(4-fluorophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)benzamide is O=C(c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1)N(Cc1ccncc1)C1CC1.
What is the InChIKey of 4-chloro-N-cyclopropyl-3-[(4-fluorophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is BSCYRSCZTPDFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClFN3O3S/c23-20-8-1-16(13-21(20)26-31(29,30)19-6-2-17(24)3-7-19)22(28)27(18-4-5-18)14-15-9-11-25-12-10-15/h1-3,6-13,18,26H,4-5,14H2.
What are the key properties of 4-chloro-N-cyclopropyl-3-[(4-fluorophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)benzamide?
4-chloro-N-cyclopropyl-3-[(4-fluorophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)benzamide has a molecular weight of 459.93 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cyclopropyl-3-[(4-fluorophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 52547897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).