2-chloro-5-[methyl(propan-2-yl)sulfamoyl]-N-[4-(triazol-2-yl)phenyl]benzamide

C19H20ClN5O3S — CID 78885098

IUPAC2-chloro-5-[methyl(propan-2-yl)sulfamoyl]-N-[4-(triazol-2-yl)phenyl]benzamide
SMILESCC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(-n3nccn3)cc2)c1
InChIInChI=1S/C19H20ClN5O3S/c1-13(2)24(3)29(27,28)16-8-9-18(20)17(12-16)19(26)23-14-4-6-15(7-5-14)25-21-10-11-22-25/h4-13H,1-3H3,(H,23,26)
InChIKeyPEPUHTJQZGEYEL-UHFFFAOYSA-N
MW433.92 g/mol
LogP3.20
Rot. Bonds6

About 2-chloro-5-[methyl(propan-2-yl)sulfamoyl]-N-[4-(triazol-2-yl)phenyl]benzamide

2-chloro-5-[methyl(propan-2-yl)sulfamoyl]-N-[4-(triazol-2-yl)phenyl]benzamide (PubChem CID 78885098) has the molecular formula C19H20ClN5O3S and a molecular weight of 433.92 g/mol. Its IUPAC name is 2-chloro-5-[methyl(propan-2-yl)sulfamoyl]-N-[4-(triazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-5-[methyl(propan-2-yl)sulfamoyl]-N-[4-(triazol-2-yl)phenyl]benzamide
PubChem CID78885098
Molecular FormulaC19H20ClN5O3S
Molecular Weight433.92 g/mol
Exact Mass433.10
IUPAC Name2-chloro-5-[methyl(propan-2-yl)sulfamoyl]-N-[4-(triazol-2-yl)phenyl]benzamide
SMILESCC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(-n3nccn3)cc2)c1
InChIInChI=1S/C19H20ClN5O3S/c1-13(2)24(3)29(27,28)16-8-9-18(20)17(12-16)19(26)23-14-4-6-15(7-5-14)25-21-10-11-22-25/h4-13H,1-3H3,(H,23,26)
InChIKeyPEPUHTJQZGEYEL-UHFFFAOYSA-N
XLogP3.20
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.92
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-(3,5-dimethoxyphenyl)-5-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55345679
3,4-dichloro-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide
CID 8759609
2-chloro-N-(4,6-dimethyl-2-pyridinyl)-5-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 75469577
2-chloro-5-[methyl(propan-2-yl)sulfamoyl]-N-(6-methyl-2-pyridinyl)benzamide
CID 51286285
2-chloro-N-(2-methyl-4-propan-2-yloxyphenyl)-5-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55887552
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-chloro-5-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55340947
2-chloro-N-[3-(1,3-dithiolan-2-yl)phenyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 35852240
2-chloro-5-(diethylsulfamoyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 18274938
2-chloro-N-(3-hydroxypropyl)-5-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 78854298
2,5-dichloro-N-[4-(dimethylsulfamoyl)phenyl]benzamide
CID 9494815
2-chloro-N-(3-chloro-4-methylphenyl)-5-(dimethylsulfamoyl)benzamide
CID 2665830
2-chloro-N-[2-(difluoromethoxy)phenyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55332147

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[methyl(propan-2-yl)sulfamoyl]-N-[4-(triazol-2-yl)phenyl]benzamide?
The IUPAC name of 2-chloro-5-[methyl(propan-2-yl)sulfamoyl]-N-[4-(triazol-2-yl)phenyl]benzamide (CID 78885098) is 2-chloro-5-[methyl(propan-2-yl)sulfamoyl]-N-[4-(triazol-2-yl)phenyl]benzamide.
What is the SMILES notation for 2-chloro-5-[methyl(propan-2-yl)sulfamoyl]-N-[4-(triazol-2-yl)phenyl]benzamide?
The canonical SMILES for 2-chloro-5-[methyl(propan-2-yl)sulfamoyl]-N-[4-(triazol-2-yl)phenyl]benzamide is CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(-n3nccn3)cc2)c1.
What is the InChIKey of 2-chloro-5-[methyl(propan-2-yl)sulfamoyl]-N-[4-(triazol-2-yl)phenyl]benzamide?
The InChIKey is PEPUHTJQZGEYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O3S/c1-13(2)24(3)29(27,28)16-8-9-18(20)17(12-16)19(26)23-14-4-6-15(7-5-14)25-21-10-11-22-25/h4-13H,1-3H3,(H,23,26).
What are the key properties of 2-chloro-5-[methyl(propan-2-yl)sulfamoyl]-N-[4-(triazol-2-yl)phenyl]benzamide?
2-chloro-5-[methyl(propan-2-yl)sulfamoyl]-N-[4-(triazol-2-yl)phenyl]benzamide has a molecular weight of 433.92 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[methyl(propan-2-yl)sulfamoyl]-N-[4-(triazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 78885098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).