N-[(4-chlorophenyl)methyl]-4-(prop-2-ynylsulfamoyl)benzamide

C17H15ClN2O3S — CID 33313792

IUPACN-[(4-chlorophenyl)methyl]-4-(prop-2-ynylsulfamoyl)benzamide
SMILESC#CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H15ClN2O3S/c1-2-11-20-24(22,23)16-9-5-14(6-10-16)17(21)19-12-13-3-7-15(18)8-4-13/h1,3-10,20H,11-12H2,(H,19,21)
InChIKeyIORRKAQSYKMHFT-UHFFFAOYSA-N
MW362.84 g/mol
LogP2.18
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-4-(prop-2-ynylsulfamoyl)benzamide

N-[(4-chlorophenyl)methyl]-4-(prop-2-ynylsulfamoyl)benzamide (PubChem CID 33313792) has the molecular formula C17H15ClN2O3S and a molecular weight of 362.84 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-4-(prop-2-ynylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-4-(prop-2-ynylsulfamoyl)benzamide
PubChem CID33313792
Molecular FormulaC17H15ClN2O3S
Molecular Weight362.84 g/mol
Exact Mass362.05
IUPAC NameN-[(4-chlorophenyl)methyl]-4-(prop-2-ynylsulfamoyl)benzamide
SMILESC#CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H15ClN2O3S/c1-2-11-20-24(22,23)16-9-5-14(6-10-16)17(21)19-12-13-3-7-15(18)8-4-13/h1,3-10,20H,11-12H2,(H,19,21)
InChIKeyIORRKAQSYKMHFT-UHFFFAOYSA-N
XLogP2.18
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.84
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(prop-2-ynylsulfamoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 33322312
N-[[4-(dimethylamino)phenyl]methyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 33318428
N-[(4-phenoxyphenyl)methyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 60618856
4-(butylsulfamoyl)-N-[(4-chlorophenyl)methyl]benzamide
CID 109058697
N-[(4-chlorophenyl)methyl]-4-[[(4-fluorophenyl)sulfonylamino]methyl]benzamide
CID 5073710
N-[(4-chlorophenyl)methyl]-4-(2-cyanoethylsulfamoyl)benzamide
CID 32684648
N-[(3-methylphenyl)methyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 38295775
N-(2-hydroxypropyl)-4-(prop-2-ynylsulfamoyl)benzamide
CID 78856021
N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 43059176
N-[[3-(difluoromethoxy)phenyl]methyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 49390939
N-[1-(4-chlorophenyl)ethyl]-N-methyl-4-(prop-2-ynylsulfamoyl)benzamide
CID 134003986
N-propan-2-yl-4-(prop-2-ynylsulfamoyl)benzamide
CID 51297855

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-4-(prop-2-ynylsulfamoyl)benzamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-4-(prop-2-ynylsulfamoyl)benzamide (CID 33313792) is N-[(4-chlorophenyl)methyl]-4-(prop-2-ynylsulfamoyl)benzamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-4-(prop-2-ynylsulfamoyl)benzamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-4-(prop-2-ynylsulfamoyl)benzamide is C#CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-4-(prop-2-ynylsulfamoyl)benzamide?
The InChIKey is IORRKAQSYKMHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O3S/c1-2-11-20-24(22,23)16-9-5-14(6-10-16)17(21)19-12-13-3-7-15(18)8-4-13/h1,3-10,20H,11-12H2,(H,19,21).
What are the key properties of N-[(4-chlorophenyl)methyl]-4-(prop-2-ynylsulfamoyl)benzamide?
N-[(4-chlorophenyl)methyl]-4-(prop-2-ynylsulfamoyl)benzamide has a molecular weight of 362.84 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-4-(prop-2-ynylsulfamoyl)benzamide is sourced from PubChem (CID 33313792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).