3-(benzylsulfamoyl)-4-chloro-N-(3-phenylprop-2-ynyl)benzamide

C23H19ClN2O3S — CID 24615553

IUPAC3-(benzylsulfamoyl)-4-chloro-N-(3-phenylprop-2-ynyl)benzamide
SMILESO=C(NCC#Cc1ccccc1)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C23H19ClN2O3S/c24-21-14-13-20(23(27)25-15-7-12-18-8-3-1-4-9-18)16-22(21)30(28,29)26-17-19-10-5-2-6-11-19/h1-6,8-11,13-14,16,26H,15,17H2,(H,25,27)
InChIKeyPPDSFTPWBVJKOV-UHFFFAOYSA-N
MW438.94 g/mol
LogP3.60
Rot. Bonds6

About 3-(benzylsulfamoyl)-4-chloro-N-(3-phenylprop-2-ynyl)benzamide

3-(benzylsulfamoyl)-4-chloro-N-(3-phenylprop-2-ynyl)benzamide (PubChem CID 24615553) has the molecular formula C23H19ClN2O3S and a molecular weight of 438.94 g/mol. Its IUPAC name is 3-(benzylsulfamoyl)-4-chloro-N-(3-phenylprop-2-ynyl)benzamide.

Molecular Properties

Compound Name3-(benzylsulfamoyl)-4-chloro-N-(3-phenylprop-2-ynyl)benzamide
PubChem CID24615553
Molecular FormulaC23H19ClN2O3S
Molecular Weight438.94 g/mol
Exact Mass438.08
IUPAC Name3-(benzylsulfamoyl)-4-chloro-N-(3-phenylprop-2-ynyl)benzamide
SMILESO=C(NCC#Cc1ccccc1)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C23H19ClN2O3S/c24-21-14-13-20(23(27)25-15-7-12-18-8-3-1-4-9-18)16-22(21)30(28,29)26-17-19-10-5-2-6-11-19/h1-6,8-11,13-14,16,26H,15,17H2,(H,25,27)
InChIKeyPPDSFTPWBVJKOV-UHFFFAOYSA-N
XLogP3.60
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.94
LogP ≤ 53.60
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

N-[2-(benzylamino)-2-oxoethyl]-3-(benzylsulfamoyl)-4-chlorobenzamide
CID 38639374
3-(benzylsulfamoyl)-4-chloro-N-methoxybenzamide
CID 52563097
3-(benzylsulfamoyl)-4-chloro-N-(3-ethoxypropyl)benzamide
CID 24540711
N-benzyl-5-(2-bromoacetyl)-2-chlorobenzenesulfonamide
CID 21316702
3-(benzylsulfamoyl)-4-chloro-N-(4-methoxyphenyl)benzamide
CID 24536240
3-(benzylsulfamoyl)-4-chloro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide
CID 17480323
3-(benzylsulfamoyl)-4-chloro-N-pyridin-2-ylbenzamide
CID 60589876
2-methylprop-2-enyl 3-(benzylsulfamoyl)-4-chlorobenzoate
CID 18098555
(3,3-dimethyl-2-oxobutyl) 3-(benzylsulfamoyl)-4-chlorobenzoate
CID 2599563
3-(benzylsulfamoyl)-4-chloro-N-(5-methyl-2-pyridinyl)benzamide
CID 55370754
3-(benzylsulfamoyl)-4-chloro-N-[2-(2-nitroanilino)ethyl]benzamide
CID 26420445
N-benzyl-2-chloro-5-[[[2-(4-methoxyphenyl)acetyl]amino]carbamoyl]benzenesulfonamide
CID 24553911

Frequently Asked Questions

What is the IUPAC name of 3-(benzylsulfamoyl)-4-chloro-N-(3-phenylprop-2-ynyl)benzamide?
The IUPAC name of 3-(benzylsulfamoyl)-4-chloro-N-(3-phenylprop-2-ynyl)benzamide (CID 24615553) is 3-(benzylsulfamoyl)-4-chloro-N-(3-phenylprop-2-ynyl)benzamide.
What is the SMILES notation for 3-(benzylsulfamoyl)-4-chloro-N-(3-phenylprop-2-ynyl)benzamide?
The canonical SMILES for 3-(benzylsulfamoyl)-4-chloro-N-(3-phenylprop-2-ynyl)benzamide is O=C(NCC#Cc1ccccc1)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1.
What is the InChIKey of 3-(benzylsulfamoyl)-4-chloro-N-(3-phenylprop-2-ynyl)benzamide?
The InChIKey is PPDSFTPWBVJKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O3S/c24-21-14-13-20(23(27)25-15-7-12-18-8-3-1-4-9-18)16-22(21)30(28,29)26-17-19-10-5-2-6-11-19/h1-6,8-11,13-14,16,26H,15,17H2,(H,25,27).
What are the key properties of 3-(benzylsulfamoyl)-4-chloro-N-(3-phenylprop-2-ynyl)benzamide?
3-(benzylsulfamoyl)-4-chloro-N-(3-phenylprop-2-ynyl)benzamide has a molecular weight of 438.94 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylsulfamoyl)-4-chloro-N-(3-phenylprop-2-ynyl)benzamide is sourced from PubChem (CID 24615553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).