3-(tert-butylsulfamoyl)-4-chloro-N-[6-(dimethylamino)-3-pyridinyl]benzamide

C18H23ClN4O3S — CID 46462504

IUPAC3-(tert-butylsulfamoyl)-4-chloro-N-[6-(dimethylamino)-3-pyridinyl]benzamide
SMILESCN(C)c1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c2)cn1
InChIInChI=1S/C18H23ClN4O3S/c1-18(2,3)22-27(25,26)15-10-12(6-8-14(15)19)17(24)21-13-7-9-16(20-11-13)23(4)5/h6-11,22H,1-5H3,(H,21,24)
InChIKeyRQZCVBZGWYOYPJ-UHFFFAOYSA-N
MW410.93 g/mol
LogP3.13
Rot. Bonds5

About 3-(tert-butylsulfamoyl)-4-chloro-N-[6-(dimethylamino)-3-pyridinyl]benzamide

3-(tert-butylsulfamoyl)-4-chloro-N-[6-(dimethylamino)-3-pyridinyl]benzamide (PubChem CID 46462504) has the molecular formula C18H23ClN4O3S and a molecular weight of 410.93 g/mol. Its IUPAC name is 3-(tert-butylsulfamoyl)-4-chloro-N-[6-(dimethylamino)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name3-(tert-butylsulfamoyl)-4-chloro-N-[6-(dimethylamino)-3-pyridinyl]benzamide
PubChem CID46462504
Molecular FormulaC18H23ClN4O3S
Molecular Weight410.93 g/mol
Exact Mass410.12
IUPAC Name3-(tert-butylsulfamoyl)-4-chloro-N-[6-(dimethylamino)-3-pyridinyl]benzamide
SMILESCN(C)c1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c2)cn1
InChIInChI=1S/C18H23ClN4O3S/c1-18(2,3)22-27(25,26)15-10-12(6-8-14(15)19)17(24)21-13-7-9-16(20-11-13)23(4)5/h6-11,22H,1-5H3,(H,21,24)
InChIKeyRQZCVBZGWYOYPJ-UHFFFAOYSA-N
XLogP3.13
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.93
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[6-(dimethylamino)-3-pyridinyl]-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 30295727
3-(tert-butylsulfamoyl)-4-chloro-N-(3-chloro-4-cyanophenyl)benzamide
CID 30245415
3-(tert-butylsulfamoyl)-4-chloro-N-(3,4-diethoxyphenyl)benzamide
CID 38207231
3-(tert-butylsulfamoyl)-4-chloro-N-(4-methyl-2-pyridinyl)benzamide
CID 35344934
methyl 3-[[3-(tert-butylsulfamoyl)-4-chlorobenzoyl]amino]benzoate
CID 2529890
N-[6-(dimethylamino)-3-pyridinyl]-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 30295696
3-(tert-butylsulfamoyl)-4-chloro-N-(2,4-difluorophenyl)benzamide
CID 34827235
3-(tert-butylsulfamoyl)-4-chloro-N-[3-(cyclopropanecarbonylamino)phenyl]benzamide
CID 46584819
N-[6-(dimethylamino)-3-pyridinyl]-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 30295673
4-chloro-N-[4-(dimethylamino)phenyl]-3-methylsulfonylbenzamide
CID 78776424
3-(tert-butylsulfamoyl)-4-chloro-N-propylbenzamide
CID 34827308
N-[4-(tert-butylcarbamoyl)phenyl]-4-chloro-3-(dimethylsulfamoyl)benzamide
CID 38255180

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylsulfamoyl)-4-chloro-N-[6-(dimethylamino)-3-pyridinyl]benzamide?
The IUPAC name of 3-(tert-butylsulfamoyl)-4-chloro-N-[6-(dimethylamino)-3-pyridinyl]benzamide (CID 46462504) is 3-(tert-butylsulfamoyl)-4-chloro-N-[6-(dimethylamino)-3-pyridinyl]benzamide.
What is the SMILES notation for 3-(tert-butylsulfamoyl)-4-chloro-N-[6-(dimethylamino)-3-pyridinyl]benzamide?
The canonical SMILES for 3-(tert-butylsulfamoyl)-4-chloro-N-[6-(dimethylamino)-3-pyridinyl]benzamide is CN(C)c1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c2)cn1.
What is the InChIKey of 3-(tert-butylsulfamoyl)-4-chloro-N-[6-(dimethylamino)-3-pyridinyl]benzamide?
The InChIKey is RQZCVBZGWYOYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O3S/c1-18(2,3)22-27(25,26)15-10-12(6-8-14(15)19)17(24)21-13-7-9-16(20-11-13)23(4)5/h6-11,22H,1-5H3,(H,21,24).
What are the key properties of 3-(tert-butylsulfamoyl)-4-chloro-N-[6-(dimethylamino)-3-pyridinyl]benzamide?
3-(tert-butylsulfamoyl)-4-chloro-N-[6-(dimethylamino)-3-pyridinyl]benzamide has a molecular weight of 410.93 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylsulfamoyl)-4-chloro-N-[6-(dimethylamino)-3-pyridinyl]benzamide is sourced from PubChem (CID 46462504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).