3-(benzylsulfamoyl)-N-(4-methyl-2-pyridinyl)benzamide

C20H19N3O3S — CID 18106959

IUPAC3-(benzylsulfamoyl)-N-(4-methyl-2-pyridinyl)benzamide
SMILESCc1ccnc(NC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)c1
InChIInChI=1S/C20H19N3O3S/c1-15-10-11-21-19(12-15)23-20(24)17-8-5-9-18(13-17)27(25,26)22-14-16-6-3-2-4-7-16/h2-13,22H,14H2,1H3,(H,21,23,24)
InChIKeyBUBNDHKJLRVSTC-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.12
Rot. Bonds6

About 3-(benzylsulfamoyl)-N-(4-methyl-2-pyridinyl)benzamide

3-(benzylsulfamoyl)-N-(4-methyl-2-pyridinyl)benzamide (PubChem CID 18106959) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is 3-(benzylsulfamoyl)-N-(4-methyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name3-(benzylsulfamoyl)-N-(4-methyl-2-pyridinyl)benzamide
PubChem CID18106959
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC Name3-(benzylsulfamoyl)-N-(4-methyl-2-pyridinyl)benzamide
SMILESCc1ccnc(NC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)c1
InChIInChI=1S/C20H19N3O3S/c1-15-10-11-21-19(12-15)23-20(24)17-8-5-9-18(13-17)27(25,26)22-14-16-6-3-2-4-7-16/h2-13,22H,14H2,1H3,(H,21,23,24)
InChIKeyBUBNDHKJLRVSTC-UHFFFAOYSA-N
XLogP3.12
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(benzylsulfamoyl)-2-methyl-N-(4-methyl-2-pyridinyl)benzamide
CID 25163680
3-(tert-butylsulfamoyl)-N-(4-methyl-2-pyridinyl)benzamide
CID 35028286
3-(benzylsulfamoyl)-N-(2,4-dimethylphenyl)benzamide
CID 9342801
3-[(4-methyl-2-pyridinyl)sulfamoyl]-N-phenylbenzamide
CID 27187007
3-(benzylsulfamoyl)-N-(2-chloro-4-methylphenyl)benzamide
CID 26637708
3-(benzylsulfamoyl)-N-(1-methylpyrazol-3-yl)benzamide
CID 17424041
N-(3-methylphenyl)-3-[(3-methylphenyl)methylsulfamoyl]benzamide
CID 109064583
N-benzyl-3-(hydrazinecarbonyl)benzenesulfonamide
CID 2442245
3-(benzylsulfamoyl)-N-(2-propan-2-ylpyrazol-3-yl)benzamide
CID 30186121
3-(benzylsulfamoyl)-N-[3-(hydroxymethyl)phenyl]benzamide
CID 9300349
[3-[[3-(benzylsulfamoyl)benzoyl]amino]phenyl]-methyl-oxoazanium
CID 170977181
N-benzyl-3-[[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]carbamoyl]benzenesulfonamide
CID 26247665

Frequently Asked Questions

What is the IUPAC name of 3-(benzylsulfamoyl)-N-(4-methyl-2-pyridinyl)benzamide?
The IUPAC name of 3-(benzylsulfamoyl)-N-(4-methyl-2-pyridinyl)benzamide (CID 18106959) is 3-(benzylsulfamoyl)-N-(4-methyl-2-pyridinyl)benzamide.
What is the SMILES notation for 3-(benzylsulfamoyl)-N-(4-methyl-2-pyridinyl)benzamide?
The canonical SMILES for 3-(benzylsulfamoyl)-N-(4-methyl-2-pyridinyl)benzamide is Cc1ccnc(NC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)c1.
What is the InChIKey of 3-(benzylsulfamoyl)-N-(4-methyl-2-pyridinyl)benzamide?
The InChIKey is BUBNDHKJLRVSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-15-10-11-21-19(12-15)23-20(24)17-8-5-9-18(13-17)27(25,26)22-14-16-6-3-2-4-7-16/h2-13,22H,14H2,1H3,(H,21,23,24).
What are the key properties of 3-(benzylsulfamoyl)-N-(4-methyl-2-pyridinyl)benzamide?
3-(benzylsulfamoyl)-N-(4-methyl-2-pyridinyl)benzamide has a molecular weight of 381.46 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylsulfamoyl)-N-(4-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 18106959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).