4-[[(2,5-dichlorobenzoyl)amino]carbamoyl]-N-propan-2-ylbenzenesulfonamide

C17H17Cl2N3O4S — CID 24634435

IUPAC4-[[(2,5-dichlorobenzoyl)amino]carbamoyl]-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(C(=O)NNC(=O)c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C17H17Cl2N3O4S/c1-10(2)22-27(25,26)13-6-3-11(4-7-13)16(23)20-21-17(24)14-9-12(18)5-8-15(14)19/h3-10,22H,1-2H3,(H,20,23)(H,21,24)
InChIKeyLGDHWKIWVHBLST-UHFFFAOYSA-N
MW430.31 g/mol
LogP2.75
Rot. Bonds5

About 4-[[(2,5-dichlorobenzoyl)amino]carbamoyl]-N-propan-2-ylbenzenesulfonamide

4-[[(2,5-dichlorobenzoyl)amino]carbamoyl]-N-propan-2-ylbenzenesulfonamide (PubChem CID 24634435) has the molecular formula C17H17Cl2N3O4S and a molecular weight of 430.31 g/mol. Its IUPAC name is 4-[[(2,5-dichlorobenzoyl)amino]carbamoyl]-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-[[(2,5-dichlorobenzoyl)amino]carbamoyl]-N-propan-2-ylbenzenesulfonamide
PubChem CID24634435
Molecular FormulaC17H17Cl2N3O4S
Molecular Weight430.31 g/mol
Exact Mass429.03
IUPAC Name4-[[(2,5-dichlorobenzoyl)amino]carbamoyl]-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(C(=O)NNC(=O)c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C17H17Cl2N3O4S/c1-10(2)22-27(25,26)13-6-3-11(4-7-13)16(23)20-21-17(24)14-9-12(18)5-8-15(14)19/h3-10,22H,1-2H3,(H,20,23)(H,21,24)
InChIKeyLGDHWKIWVHBLST-UHFFFAOYSA-N
XLogP2.75
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.31
LogP ≤ 52.75
H-Bond Donors ≤ 53
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-[[(5-chloro-2-methoxybenzoyl)amino]carbamoyl]-N-propan-2-ylbenzenesulfonamide
CID 24636094
4-chloro-3-[[(4-chlorobenzoyl)amino]carbamoyl]-N-methylbenzenesulfonamide
CID 9442420
4-chloro-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 4924513
N'-acetyl-2,5-dichlorobenzohydrazide
CID 47099470
2-chloro-N-methoxy-5-(propan-2-ylsulfamoyl)benzamide
CID 51316610
N-tert-butyl-2-chloro-5-(propan-2-ylsulfamoyl)benzamide
CID 51285596
4-chloro-N-[(2S)-1-[2-(4-methylsulfonylbenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide
CID 34963656
N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-4-(propan-2-ylsulfamoyl)benzamide
CID 46580501
N-(2-chloro-4-methylphenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 26637625
2,5-dichloro-N'-(4-phenylbenzoyl)benzohydrazide
CID 4789053
N-[1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl]-4-chlorobenzenesulfonamide
CID 55347203
N-(4-tert-butylphenyl)-2-chloro-5-(propan-2-ylsulfamoyl)benzamide
CID 34756542

Frequently Asked Questions

What is the IUPAC name of 4-[[(2,5-dichlorobenzoyl)amino]carbamoyl]-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-[[(2,5-dichlorobenzoyl)amino]carbamoyl]-N-propan-2-ylbenzenesulfonamide (CID 24634435) is 4-[[(2,5-dichlorobenzoyl)amino]carbamoyl]-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-[[(2,5-dichlorobenzoyl)amino]carbamoyl]-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-[[(2,5-dichlorobenzoyl)amino]carbamoyl]-N-propan-2-ylbenzenesulfonamide is CC(C)NS(=O)(=O)c1ccc(C(=O)NNC(=O)c2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of 4-[[(2,5-dichlorobenzoyl)amino]carbamoyl]-N-propan-2-ylbenzenesulfonamide?
The InChIKey is LGDHWKIWVHBLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O4S/c1-10(2)22-27(25,26)13-6-3-11(4-7-13)16(23)20-21-17(24)14-9-12(18)5-8-15(14)19/h3-10,22H,1-2H3,(H,20,23)(H,21,24).
What are the key properties of 4-[[(2,5-dichlorobenzoyl)amino]carbamoyl]-N-propan-2-ylbenzenesulfonamide?
4-[[(2,5-dichlorobenzoyl)amino]carbamoyl]-N-propan-2-ylbenzenesulfonamide has a molecular weight of 430.31 g/mol, XLogP of 2.75, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2,5-dichlorobenzoyl)amino]carbamoyl]-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 24634435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).