N-(4-methyl-2-pyridinyl)-4-(prop-2-ynylsulfamoyl)benzamide

C16H15N3O3S — CID 51298176

IUPACN-(4-methyl-2-pyridinyl)-4-(prop-2-ynylsulfamoyl)benzamide
SMILESC#CCNS(=O)(=O)c1ccc(C(=O)Nc2cc(C)ccn2)cc1
InChIInChI=1S/C16H15N3O3S/c1-3-9-18-23(21,22)14-6-4-13(5-7-14)16(20)19-15-11-12(2)8-10-17-15/h1,4-8,10-11,18H,9H2,2H3,(H,17,19,20)
InChIKeyOMFQVZWYNFGOKI-UHFFFAOYSA-N
MW329.38 g/mol
LogP1.55
Rot. Bonds5

About N-(4-methyl-2-pyridinyl)-4-(prop-2-ynylsulfamoyl)benzamide

N-(4-methyl-2-pyridinyl)-4-(prop-2-ynylsulfamoyl)benzamide (PubChem CID 51298176) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is N-(4-methyl-2-pyridinyl)-4-(prop-2-ynylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(4-methyl-2-pyridinyl)-4-(prop-2-ynylsulfamoyl)benzamide
PubChem CID51298176
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC NameN-(4-methyl-2-pyridinyl)-4-(prop-2-ynylsulfamoyl)benzamide
SMILESC#CCNS(=O)(=O)c1ccc(C(=O)Nc2cc(C)ccn2)cc1
InChIInChI=1S/C16H15N3O3S/c1-3-9-18-23(21,22)14-6-4-13(5-7-14)16(20)19-15-11-12(2)8-10-17-15/h1,4-8,10-11,18H,9H2,2H3,(H,17,19,20)
InChIKeyOMFQVZWYNFGOKI-UHFFFAOYSA-N
XLogP1.55
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-methyl-2-pyridinyl)-4-propan-2-ylsulfonylbenzamide
CID 46489941
N-(5-methyl-1,3-thiazol-2-yl)-4-(prop-2-ynylsulfamoyl)benzamide
CID 35804829
4-(azepan-1-ylsulfonyl)-N-(4-methyl-2-pyridinyl)benzamide
CID 2147569
4-iodo-N-(4-methyl-2-pyridinyl)benzamide
CID 21204751
N-(4-bromo-2-methylphenyl)-4-(prop-2-ynylsulfamoyl)benzamide
CID 46678558
N-[(3-methylphenyl)methyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 38295775
N-(3-fluoro-4-methylphenyl)-4-(prop-2-ynylsulfamoyl)benzamide
CID 33314755
N-(3,4-difluorophenyl)-4-(prop-2-ynylsulfamoyl)benzamide
CID 33314597
N-(3-acetylphenyl)-4-(prop-2-ynylsulfamoyl)benzamide
CID 34833159
3-(benzylsulfamoyl)-N-(4-methyl-2-pyridinyl)benzamide
CID 18106959
N-propan-2-yl-4-(prop-2-ynylsulfamoyl)benzamide
CID 51297855
N-(2-fluorophenyl)-4-(prop-2-ynylsulfamoyl)benzamide
CID 33314164

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-pyridinyl)-4-(prop-2-ynylsulfamoyl)benzamide?
The IUPAC name of N-(4-methyl-2-pyridinyl)-4-(prop-2-ynylsulfamoyl)benzamide (CID 51298176) is N-(4-methyl-2-pyridinyl)-4-(prop-2-ynylsulfamoyl)benzamide.
What is the SMILES notation for N-(4-methyl-2-pyridinyl)-4-(prop-2-ynylsulfamoyl)benzamide?
The canonical SMILES for N-(4-methyl-2-pyridinyl)-4-(prop-2-ynylsulfamoyl)benzamide is C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cc(C)ccn2)cc1.
What is the InChIKey of N-(4-methyl-2-pyridinyl)-4-(prop-2-ynylsulfamoyl)benzamide?
The InChIKey is OMFQVZWYNFGOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-3-9-18-23(21,22)14-6-4-13(5-7-14)16(20)19-15-11-12(2)8-10-17-15/h1,4-8,10-11,18H,9H2,2H3,(H,17,19,20).
What are the key properties of N-(4-methyl-2-pyridinyl)-4-(prop-2-ynylsulfamoyl)benzamide?
N-(4-methyl-2-pyridinyl)-4-(prop-2-ynylsulfamoyl)benzamide has a molecular weight of 329.38 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-pyridinyl)-4-(prop-2-ynylsulfamoyl)benzamide is sourced from PubChem (CID 51298176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).