N-benzyl-4-chloro-N-[[4-[(propanoylamino)carbamoyl]phenyl]methyl]benzenesulfonamide

C24H24ClN3O4S — CID 26861330

IUPACN-benzyl-4-chloro-N-[[4-[(propanoylamino)carbamoyl]phenyl]methyl]benzenesulfonamide
SMILESCCC(=O)NNC(=O)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H24ClN3O4S/c1-2-23(29)26-27-24(30)20-10-8-19(9-11-20)17-28(16-18-6-4-3-5-7-18)33(31,32)22-14-12-21(25)13-15-22/h3-15H,2,16-17H2,1H3,(H,26,29)(H,27,30)
InChIKeyQAFLDUHFPAKOFM-UHFFFAOYSA-N
MW485.99 g/mol
LogP3.90
Rot. Bonds8

About N-benzyl-4-chloro-N-[[4-[(propanoylamino)carbamoyl]phenyl]methyl]benzenesulfonamide

N-benzyl-4-chloro-N-[[4-[(propanoylamino)carbamoyl]phenyl]methyl]benzenesulfonamide (PubChem CID 26861330) has the molecular formula C24H24ClN3O4S and a molecular weight of 485.99 g/mol. Its IUPAC name is N-benzyl-4-chloro-N-[[4-[(propanoylamino)carbamoyl]phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-4-chloro-N-[[4-[(propanoylamino)carbamoyl]phenyl]methyl]benzenesulfonamide
PubChem CID26861330
Molecular FormulaC24H24ClN3O4S
Molecular Weight485.99 g/mol
Exact Mass485.12
IUPAC NameN-benzyl-4-chloro-N-[[4-[(propanoylamino)carbamoyl]phenyl]methyl]benzenesulfonamide
SMILESCCC(=O)NNC(=O)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H24ClN3O4S/c1-2-23(29)26-27-24(30)20-10-8-19(9-11-20)17-28(16-18-6-4-3-5-7-18)33(31,32)22-14-12-21(25)13-15-22/h3-15H,2,16-17H2,1H3,(H,26,29)(H,27,30)
InChIKeyQAFLDUHFPAKOFM-UHFFFAOYSA-N
XLogP3.90
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.99
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[3-[2-(4-chlorobenzoyl)hydrazinyl]-3-oxopropyl]-N,N-diethylbenzenesulfonamide
CID 35020823
N-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-4-[[benzyl-(4-chlorophenyl)sulfonylamino]methyl]benzamide
CID 58128877
4-[[benzyl-(4-chlorophenyl)sulfonylamino]methyl]-N-(2-methylcyclohexyl)benzamide
CID 4964811
N-benzyl-4-chloro-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 112759604
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(4-ethylphenyl)acetamide
CID 22781566
3-[benzyl-(4-chlorophenyl)sulfonylamino]propanoic acid
CID 45472536
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-ethoxyacetamide
CID 18168976
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(1-phenylethyl)acetamide
CID 2878766
N,N-dibenzyl-4-[2-(4-chlorophenoxy)acetyl]benzenesulfonamide
CID 18669510
N-benzyl-4-chloro-N-[[4-(3-cyclopropylpropanoyl)phenyl]methyl]benzenesulfonamide
CID 58129138
3-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(1-phenylethyl)propanamide
CID 42699557
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 4880323

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-chloro-N-[[4-[(propanoylamino)carbamoyl]phenyl]methyl]benzenesulfonamide?
The IUPAC name of N-benzyl-4-chloro-N-[[4-[(propanoylamino)carbamoyl]phenyl]methyl]benzenesulfonamide (CID 26861330) is N-benzyl-4-chloro-N-[[4-[(propanoylamino)carbamoyl]phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for N-benzyl-4-chloro-N-[[4-[(propanoylamino)carbamoyl]phenyl]methyl]benzenesulfonamide?
The canonical SMILES for N-benzyl-4-chloro-N-[[4-[(propanoylamino)carbamoyl]phenyl]methyl]benzenesulfonamide is CCC(=O)NNC(=O)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-benzyl-4-chloro-N-[[4-[(propanoylamino)carbamoyl]phenyl]methyl]benzenesulfonamide?
The InChIKey is QAFLDUHFPAKOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O4S/c1-2-23(29)26-27-24(30)20-10-8-19(9-11-20)17-28(16-18-6-4-3-5-7-18)33(31,32)22-14-12-21(25)13-15-22/h3-15H,2,16-17H2,1H3,(H,26,29)(H,27,30).
What are the key properties of N-benzyl-4-chloro-N-[[4-[(propanoylamino)carbamoyl]phenyl]methyl]benzenesulfonamide?
N-benzyl-4-chloro-N-[[4-[(propanoylamino)carbamoyl]phenyl]methyl]benzenesulfonamide has a molecular weight of 485.99 g/mol, XLogP of 3.90, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-chloro-N-[[4-[(propanoylamino)carbamoyl]phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 26861330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).