N-benzyl-2-chloro-5-[[[2-(4-methoxyphenyl)acetyl]amino]carbamoyl]benzenesulfonamide

C23H22ClN3O5S — CID 24553911

IUPACN-benzyl-2-chloro-5-[[[2-(4-methoxyphenyl)acetyl]amino]carbamoyl]benzenesulfonamide
SMILESCOc1ccc(CC(=O)NNC(=O)c2ccc(Cl)c(S(=O)(=O)NCc3ccccc3)c2)cc1
InChIInChI=1S/C23H22ClN3O5S/c1-32-19-10-7-16(8-11-19)13-22(28)26-27-23(29)18-9-12-20(24)21(14-18)33(30,31)25-15-17-5-3-2-4-6-17/h2-12,14,25H,13,15H2,1H3,(H,26,28)(H,27,29)
InChIKeyPIGZMUVWDVQDTC-UHFFFAOYSA-N
MW487.97 g/mol
LogP2.83
Rot. Bonds8

About N-benzyl-2-chloro-5-[[[2-(4-methoxyphenyl)acetyl]amino]carbamoyl]benzenesulfonamide

N-benzyl-2-chloro-5-[[[2-(4-methoxyphenyl)acetyl]amino]carbamoyl]benzenesulfonamide (PubChem CID 24553911) has the molecular formula C23H22ClN3O5S and a molecular weight of 487.97 g/mol. Its IUPAC name is N-benzyl-2-chloro-5-[[[2-(4-methoxyphenyl)acetyl]amino]carbamoyl]benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-2-chloro-5-[[[2-(4-methoxyphenyl)acetyl]amino]carbamoyl]benzenesulfonamide
PubChem CID24553911
Molecular FormulaC23H22ClN3O5S
Molecular Weight487.97 g/mol
Exact Mass487.10
IUPAC NameN-benzyl-2-chloro-5-[[[2-(4-methoxyphenyl)acetyl]amino]carbamoyl]benzenesulfonamide
SMILESCOc1ccc(CC(=O)NNC(=O)c2ccc(Cl)c(S(=O)(=O)NCc3ccccc3)c2)cc1
InChIInChI=1S/C23H22ClN3O5S/c1-32-19-10-7-16(8-11-19)13-22(28)26-27-23(29)18-9-12-20(24)21(14-18)33(30,31)25-15-17-5-3-2-4-6-17/h2-12,14,25H,13,15H2,1H3,(H,26,28)(H,27,29)
InChIKeyPIGZMUVWDVQDTC-UHFFFAOYSA-N
XLogP2.83
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.97
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(benzylsulfamoyl)-4-chloro-N-(4-methoxyphenyl)benzamide
CID 24536240
3-(benzylsulfamoyl)-4-chloro-N-methoxybenzamide
CID 52563097
N-[2-(benzylamino)-2-oxoethyl]-3-(benzylsulfamoyl)-4-chlorobenzamide
CID 38639374
N-benzyl-5-(2-bromoacetyl)-2-chlorobenzenesulfonamide
CID 21316702
3-(benzylsulfamoyl)-4-chloro-N-(3-phenylprop-2-ynyl)benzamide
CID 24615553
3-(benzylsulfamoyl)-4-chloro-N-(3-ethoxypropyl)benzamide
CID 24540711
3-(benzylsulfamoyl)-4-[2-(4-methoxyphenyl)ethylamino]benzoic acid
CID 99979035
3-(benzylsulfamoyl)-4-methoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]benzamide
CID 28557709
3-(benzylsulfamoyl)-4-chloro-N-pyridin-2-ylbenzamide
CID 60589876
2-methylprop-2-enyl 3-(benzylsulfamoyl)-4-chlorobenzoate
CID 18098555
N-benzyl-3-[[(2-naphthalen-2-ylacetyl)amino]carbamoyl]benzenesulfonamide
CID 27690215
(3,3-dimethyl-2-oxobutyl) 3-(benzylsulfamoyl)-4-chlorobenzoate
CID 2599563

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-chloro-5-[[[2-(4-methoxyphenyl)acetyl]amino]carbamoyl]benzenesulfonamide?
The IUPAC name of N-benzyl-2-chloro-5-[[[2-(4-methoxyphenyl)acetyl]amino]carbamoyl]benzenesulfonamide (CID 24553911) is N-benzyl-2-chloro-5-[[[2-(4-methoxyphenyl)acetyl]amino]carbamoyl]benzenesulfonamide.
What is the SMILES notation for N-benzyl-2-chloro-5-[[[2-(4-methoxyphenyl)acetyl]amino]carbamoyl]benzenesulfonamide?
The canonical SMILES for N-benzyl-2-chloro-5-[[[2-(4-methoxyphenyl)acetyl]amino]carbamoyl]benzenesulfonamide is COc1ccc(CC(=O)NNC(=O)c2ccc(Cl)c(S(=O)(=O)NCc3ccccc3)c2)cc1.
What is the InChIKey of N-benzyl-2-chloro-5-[[[2-(4-methoxyphenyl)acetyl]amino]carbamoyl]benzenesulfonamide?
The InChIKey is PIGZMUVWDVQDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O5S/c1-32-19-10-7-16(8-11-19)13-22(28)26-27-23(29)18-9-12-20(24)21(14-18)33(30,31)25-15-17-5-3-2-4-6-17/h2-12,14,25H,13,15H2,1H3,(H,26,28)(H,27,29).
What are the key properties of N-benzyl-2-chloro-5-[[[2-(4-methoxyphenyl)acetyl]amino]carbamoyl]benzenesulfonamide?
N-benzyl-2-chloro-5-[[[2-(4-methoxyphenyl)acetyl]amino]carbamoyl]benzenesulfonamide has a molecular weight of 487.97 g/mol, XLogP of 2.83, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-chloro-5-[[[2-(4-methoxyphenyl)acetyl]amino]carbamoyl]benzenesulfonamide is sourced from PubChem (CID 24553911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).