2-chloro-N-propan-2-yl-5-(propan-2-ylsulfamoyl)-N-(pyridin-3-ylmethyl)benzamide

C19H24ClN3O3S — CID 60556723

IUPAC2-chloro-N-propan-2-yl-5-(propan-2-ylsulfamoyl)-N-(pyridin-3-ylmethyl)benzamide
SMILESCC(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)N(Cc2cccnc2)C(C)C)c1
InChIInChI=1S/C19H24ClN3O3S/c1-13(2)22-27(25,26)16-7-8-18(20)17(10-16)19(24)23(14(3)4)12-15-6-5-9-21-11-15/h5-11,13-14,22H,12H2,1-4H3
InChIKeyPYRXPAGSYDVVIT-UHFFFAOYSA-N
MW409.94 g/mol
LogP3.47
Rot. Bonds7

About 2-chloro-N-propan-2-yl-5-(propan-2-ylsulfamoyl)-N-(pyridin-3-ylmethyl)benzamide

2-chloro-N-propan-2-yl-5-(propan-2-ylsulfamoyl)-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 60556723) has the molecular formula C19H24ClN3O3S and a molecular weight of 409.94 g/mol. Its IUPAC name is 2-chloro-N-propan-2-yl-5-(propan-2-ylsulfamoyl)-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-propan-2-yl-5-(propan-2-ylsulfamoyl)-N-(pyridin-3-ylmethyl)benzamide
PubChem CID60556723
Molecular FormulaC19H24ClN3O3S
Molecular Weight409.94 g/mol
Exact Mass409.12
IUPAC Name2-chloro-N-propan-2-yl-5-(propan-2-ylsulfamoyl)-N-(pyridin-3-ylmethyl)benzamide
SMILESCC(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)N(Cc2cccnc2)C(C)C)c1
InChIInChI=1S/C19H24ClN3O3S/c1-13(2)22-27(25,26)16-7-8-18(20)17(10-16)19(24)23(14(3)4)12-15-6-5-9-21-11-15/h5-11,13-14,22H,12H2,1-4H3
InChIKeyPYRXPAGSYDVVIT-UHFFFAOYSA-N
XLogP3.47
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.94
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-2-chloro-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 61114903
2,5-dichloro-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 114917912
5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 55993514
5-(diethylsulfamoyl)-2-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 60556699
3-(ethylsulfamoyl)-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 55818997
4-(propan-2-ylsulfamoyl)-N-(2-pyridin-3-ylethyl)benzamide
CID 36866769
3,5-diamino-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 61116038
2,4-dibromo-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 103885272
3-(chloromethyl)-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 60948704
N-propan-2-yl-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 61215927
3-(3-chlorophenyl)-1-propan-2-yl-1-(pyridin-3-ylmethyl)urea
CID 47065731
(2S)-2-[(3,4-dimethylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide
CID 110347926

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-propan-2-yl-5-(propan-2-ylsulfamoyl)-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 2-chloro-N-propan-2-yl-5-(propan-2-ylsulfamoyl)-N-(pyridin-3-ylmethyl)benzamide (CID 60556723) is 2-chloro-N-propan-2-yl-5-(propan-2-ylsulfamoyl)-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 2-chloro-N-propan-2-yl-5-(propan-2-ylsulfamoyl)-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 2-chloro-N-propan-2-yl-5-(propan-2-ylsulfamoyl)-N-(pyridin-3-ylmethyl)benzamide is CC(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)N(Cc2cccnc2)C(C)C)c1.
What is the InChIKey of 2-chloro-N-propan-2-yl-5-(propan-2-ylsulfamoyl)-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is PYRXPAGSYDVVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O3S/c1-13(2)22-27(25,26)16-7-8-18(20)17(10-16)19(24)23(14(3)4)12-15-6-5-9-21-11-15/h5-11,13-14,22H,12H2,1-4H3.
What are the key properties of 2-chloro-N-propan-2-yl-5-(propan-2-ylsulfamoyl)-N-(pyridin-3-ylmethyl)benzamide?
2-chloro-N-propan-2-yl-5-(propan-2-ylsulfamoyl)-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 409.94 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-propan-2-yl-5-(propan-2-ylsulfamoyl)-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 60556723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).