3-(tert-butylsulfamoyl)-4-chloro-N-(4-methyl-2-pyridinyl)benzamide

C17H20ClN3O3S — CID 35344934

IUPAC3-(tert-butylsulfamoyl)-4-chloro-N-(4-methyl-2-pyridinyl)benzamide
SMILESCc1ccnc(NC(=O)c2ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c2)c1
InChIInChI=1S/C17H20ClN3O3S/c1-11-7-8-19-15(9-11)20-16(22)12-5-6-13(18)14(10-12)25(23,24)21-17(2,3)4/h5-10,21H,1-4H3,(H,19,20,22)
InChIKeyYFKRAJIEEYUIOV-UHFFFAOYSA-N
MW381.89 g/mol
LogP3.37
Rot. Bonds4

About 3-(tert-butylsulfamoyl)-4-chloro-N-(4-methyl-2-pyridinyl)benzamide

3-(tert-butylsulfamoyl)-4-chloro-N-(4-methyl-2-pyridinyl)benzamide (PubChem CID 35344934) has the molecular formula C17H20ClN3O3S and a molecular weight of 381.89 g/mol. Its IUPAC name is 3-(tert-butylsulfamoyl)-4-chloro-N-(4-methyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name3-(tert-butylsulfamoyl)-4-chloro-N-(4-methyl-2-pyridinyl)benzamide
PubChem CID35344934
Molecular FormulaC17H20ClN3O3S
Molecular Weight381.89 g/mol
Exact Mass381.09
IUPAC Name3-(tert-butylsulfamoyl)-4-chloro-N-(4-methyl-2-pyridinyl)benzamide
SMILESCc1ccnc(NC(=O)c2ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c2)c1
InChIInChI=1S/C17H20ClN3O3S/c1-11-7-8-19-15(9-11)20-16(22)12-5-6-13(18)14(10-12)25(23,24)21-17(2,3)4/h5-10,21H,1-4H3,(H,19,20,22)
InChIKeyYFKRAJIEEYUIOV-UHFFFAOYSA-N
XLogP3.37
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.89
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(tert-butylsulfamoyl)-N-(4-methyl-2-pyridinyl)benzamide
CID 35028286
N-tert-butyl-2-chloro-5-methylbenzenesulfonamide
CID 117064126
3-(tert-butylsulfamoyl)-4-chloro-N-[6-(dimethylamino)-3-pyridinyl]benzamide
CID 46462504
4-chloro-N-(4-methyl-2-pyridinyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 35029142
3-(tert-butylsulfamoyl)-4-chloro-N-(2,4-difluorophenyl)benzamide
CID 34827235
3-(tert-butylsulfamoyl)-4-chloro-N-propylbenzamide
CID 34827308
methyl 3-[[3-(tert-butylsulfamoyl)-4-chlorobenzoyl]amino]benzoate
CID 2529890
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
4-chloro-3-[(2-methylbenzoyl)amino]-N-(4-methyl-2-pyridinyl)benzamide
CID 1020098
4-iodo-N-(4-methyl-2-pyridinyl)benzamide
CID 21204751
3-(tert-butylsulfamoyl)-4-chloro-N-(1-hydroxypropan-2-yl)benzamide
CID 78856600

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylsulfamoyl)-4-chloro-N-(4-methyl-2-pyridinyl)benzamide?
The IUPAC name of 3-(tert-butylsulfamoyl)-4-chloro-N-(4-methyl-2-pyridinyl)benzamide (CID 35344934) is 3-(tert-butylsulfamoyl)-4-chloro-N-(4-methyl-2-pyridinyl)benzamide.
What is the SMILES notation for 3-(tert-butylsulfamoyl)-4-chloro-N-(4-methyl-2-pyridinyl)benzamide?
The canonical SMILES for 3-(tert-butylsulfamoyl)-4-chloro-N-(4-methyl-2-pyridinyl)benzamide is Cc1ccnc(NC(=O)c2ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c2)c1.
What is the InChIKey of 3-(tert-butylsulfamoyl)-4-chloro-N-(4-methyl-2-pyridinyl)benzamide?
The InChIKey is YFKRAJIEEYUIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O3S/c1-11-7-8-19-15(9-11)20-16(22)12-5-6-13(18)14(10-12)25(23,24)21-17(2,3)4/h5-10,21H,1-4H3,(H,19,20,22).
What are the key properties of 3-(tert-butylsulfamoyl)-4-chloro-N-(4-methyl-2-pyridinyl)benzamide?
3-(tert-butylsulfamoyl)-4-chloro-N-(4-methyl-2-pyridinyl)benzamide has a molecular weight of 381.89 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylsulfamoyl)-4-chloro-N-(4-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 35344934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).