5-[[(4-chlorobenzoyl)amino]carbamoyl]-2-methoxy-N-propan-2-ylbenzenesulfonamide

C18H20ClN3O5S — CID 35158676

IUPAC5-[[(4-chlorobenzoyl)amino]carbamoyl]-2-methoxy-N-propan-2-ylbenzenesulfonamide
SMILESCOc1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2)cc1S(=O)(=O)NC(C)C
InChIInChI=1S/C18H20ClN3O5S/c1-11(2)22-28(25,26)16-10-13(6-9-15(16)27-3)18(24)21-20-17(23)12-4-7-14(19)8-5-12/h4-11,22H,1-3H3,(H,20,23)(H,21,24)
InChIKeyGLLHFYBQQLHXKI-UHFFFAOYSA-N
MW425.89 g/mol
LogP2.11
Rot. Bonds6

About 5-[[(4-chlorobenzoyl)amino]carbamoyl]-2-methoxy-N-propan-2-ylbenzenesulfonamide

5-[[(4-chlorobenzoyl)amino]carbamoyl]-2-methoxy-N-propan-2-ylbenzenesulfonamide (PubChem CID 35158676) has the molecular formula C18H20ClN3O5S and a molecular weight of 425.89 g/mol. Its IUPAC name is 5-[[(4-chlorobenzoyl)amino]carbamoyl]-2-methoxy-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name5-[[(4-chlorobenzoyl)amino]carbamoyl]-2-methoxy-N-propan-2-ylbenzenesulfonamide
PubChem CID35158676
Molecular FormulaC18H20ClN3O5S
Molecular Weight425.89 g/mol
Exact Mass425.08
IUPAC Name5-[[(4-chlorobenzoyl)amino]carbamoyl]-2-methoxy-N-propan-2-ylbenzenesulfonamide
SMILESCOc1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2)cc1S(=O)(=O)NC(C)C
InChIInChI=1S/C18H20ClN3O5S/c1-11(2)22-28(25,26)16-10-13(6-9-15(16)27-3)18(24)21-20-17(23)12-4-7-14(19)8-5-12/h4-11,22H,1-3H3,(H,20,23)(H,21,24)
InChIKeyGLLHFYBQQLHXKI-UHFFFAOYSA-N
XLogP2.11
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.89
LogP ≤ 52.11
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

tert-butyl N-[[4-methoxy-3-(propan-2-ylsulfamoyl)benzoyl]amino]carbamate
CID 22108264
N-(2,5-dichlorophenyl)-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 40742127
4-[[(5-chloro-2-methoxybenzoyl)amino]carbamoyl]-N-propan-2-ylbenzenesulfonamide
CID 24636094
2-methoxy-5-[[(3-nitrobenzoyl)amino]carbamoyl]-N-propan-2-ylbenzenesulfonamide
CID 27663032
N-butan-2-yl-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 45373494
4-methoxy-3-(propan-2-ylsulfamoyl)-N-prop-2-ynylbenzamide
CID 39736994
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 28557637
4-methoxy-N-(4-methylsulfonylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 16594690
4-methoxy-N-(2-methylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 40742114
4-methoxy-N-(4-methylcyclohexyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 46799189
4-methoxy-N-(3-propan-2-yloxypropyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 45373535
N-(4-bromo-2,6-dimethylphenyl)-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 100795511

Frequently Asked Questions

What is the IUPAC name of 5-[[(4-chlorobenzoyl)amino]carbamoyl]-2-methoxy-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 5-[[(4-chlorobenzoyl)amino]carbamoyl]-2-methoxy-N-propan-2-ylbenzenesulfonamide (CID 35158676) is 5-[[(4-chlorobenzoyl)amino]carbamoyl]-2-methoxy-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 5-[[(4-chlorobenzoyl)amino]carbamoyl]-2-methoxy-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 5-[[(4-chlorobenzoyl)amino]carbamoyl]-2-methoxy-N-propan-2-ylbenzenesulfonamide is COc1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2)cc1S(=O)(=O)NC(C)C.
What is the InChIKey of 5-[[(4-chlorobenzoyl)amino]carbamoyl]-2-methoxy-N-propan-2-ylbenzenesulfonamide?
The InChIKey is GLLHFYBQQLHXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O5S/c1-11(2)22-28(25,26)16-10-13(6-9-15(16)27-3)18(24)21-20-17(23)12-4-7-14(19)8-5-12/h4-11,22H,1-3H3,(H,20,23)(H,21,24).
What are the key properties of 5-[[(4-chlorobenzoyl)amino]carbamoyl]-2-methoxy-N-propan-2-ylbenzenesulfonamide?
5-[[(4-chlorobenzoyl)amino]carbamoyl]-2-methoxy-N-propan-2-ylbenzenesulfonamide has a molecular weight of 425.89 g/mol, XLogP of 2.11, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(4-chlorobenzoyl)amino]carbamoyl]-2-methoxy-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 35158676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).