4-[[(5-chloro-2-methoxybenzoyl)amino]carbamoyl]-N-propan-2-ylbenzenesulfonamide

C18H20ClN3O5S — CID 24636094

IUPAC4-[[(5-chloro-2-methoxybenzoyl)amino]carbamoyl]-N-propan-2-ylbenzenesulfonamide
SMILESCOc1ccc(Cl)cc1C(=O)NNC(=O)c1ccc(S(=O)(=O)NC(C)C)cc1
InChIInChI=1S/C18H20ClN3O5S/c1-11(2)22-28(25,26)14-7-4-12(5-8-14)17(23)20-21-18(24)15-10-13(19)6-9-16(15)27-3/h4-11,22H,1-3H3,(H,20,23)(H,21,24)
InChIKeyLXCDJTUWAOKYMC-UHFFFAOYSA-N
MW425.89 g/mol
LogP2.11
Rot. Bonds6

About 4-[[(5-chloro-2-methoxybenzoyl)amino]carbamoyl]-N-propan-2-ylbenzenesulfonamide

4-[[(5-chloro-2-methoxybenzoyl)amino]carbamoyl]-N-propan-2-ylbenzenesulfonamide (PubChem CID 24636094) has the molecular formula C18H20ClN3O5S and a molecular weight of 425.89 g/mol. Its IUPAC name is 4-[[(5-chloro-2-methoxybenzoyl)amino]carbamoyl]-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-[[(5-chloro-2-methoxybenzoyl)amino]carbamoyl]-N-propan-2-ylbenzenesulfonamide
PubChem CID24636094
Molecular FormulaC18H20ClN3O5S
Molecular Weight425.89 g/mol
Exact Mass425.08
IUPAC Name4-[[(5-chloro-2-methoxybenzoyl)amino]carbamoyl]-N-propan-2-ylbenzenesulfonamide
SMILESCOc1ccc(Cl)cc1C(=O)NNC(=O)c1ccc(S(=O)(=O)NC(C)C)cc1
InChIInChI=1S/C18H20ClN3O5S/c1-11(2)22-28(25,26)14-7-4-12(5-8-14)17(23)20-21-18(24)15-10-13(19)6-9-16(15)27-3/h4-11,22H,1-3H3,(H,20,23)(H,21,24)
InChIKeyLXCDJTUWAOKYMC-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

4-[[(2,5-dichlorobenzoyl)amino]carbamoyl]-N-propan-2-ylbenzenesulfonamide
CID 24634435
5-[[(4-chlorobenzoyl)amino]carbamoyl]-2-methoxy-N-propan-2-ylbenzenesulfonamide
CID 35158676
5-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 7922079
N'-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-5-chloro-2-methoxybenzohydrazide
CID 8615539
5-chloro-N'-(3,5-dimethylbenzoyl)-2-methoxybenzohydrazide
CID 2469214
5-chloro-N'-(3,5-dimethoxybenzoyl)-2-methoxybenzohydrazide
CID 2091608
N'-(5-chloro-2-methoxybenzoyl)-3,4,5-trimethoxybenzohydrazide
CID 4805458
4-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 29278893
5-chloro-N'-(4-cyclohexylphenyl)sulfonyl-2-methoxybenzohydrazide
CID 8615574
N-butan-2-yl-4-[1-(5-chloro-2-methoxyphenyl)ethenylsulfamoyl]benzamide
CID 89323080
4-chloro-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 4924513
5-chloro-N'-(5-chloro-2-iodobenzoyl)-2-methoxybenzohydrazide
CID 39708070

Frequently Asked Questions

What is the IUPAC name of 4-[[(5-chloro-2-methoxybenzoyl)amino]carbamoyl]-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-[[(5-chloro-2-methoxybenzoyl)amino]carbamoyl]-N-propan-2-ylbenzenesulfonamide (CID 24636094) is 4-[[(5-chloro-2-methoxybenzoyl)amino]carbamoyl]-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-[[(5-chloro-2-methoxybenzoyl)amino]carbamoyl]-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-[[(5-chloro-2-methoxybenzoyl)amino]carbamoyl]-N-propan-2-ylbenzenesulfonamide is COc1ccc(Cl)cc1C(=O)NNC(=O)c1ccc(S(=O)(=O)NC(C)C)cc1.
What is the InChIKey of 4-[[(5-chloro-2-methoxybenzoyl)amino]carbamoyl]-N-propan-2-ylbenzenesulfonamide?
The InChIKey is LXCDJTUWAOKYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O5S/c1-11(2)22-28(25,26)14-7-4-12(5-8-14)17(23)20-21-18(24)15-10-13(19)6-9-16(15)27-3/h4-11,22H,1-3H3,(H,20,23)(H,21,24).
What are the key properties of 4-[[(5-chloro-2-methoxybenzoyl)amino]carbamoyl]-N-propan-2-ylbenzenesulfonamide?
4-[[(5-chloro-2-methoxybenzoyl)amino]carbamoyl]-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 4-[[(5-chloro-2-methoxybenzoyl)amino]carbamoyl]-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 24636094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).