N-benzyl-3-[[(2,3-dimethyl-1H-indole-5-carbonyl)amino]carbamoyl]benzenesulfonamide

C25H24N4O4S — CID 26826505

IUPACN-benzyl-3-[[(2,3-dimethyl-1H-indole-5-carbonyl)amino]carbamoyl]benzenesulfonamide
SMILESCc1[nH]c2ccc(C(=O)NNC(=O)c3cccc(S(=O)(=O)NCc4ccccc4)c3)cc2c1C
InChIInChI=1S/C25H24N4O4S/c1-16-17(2)27-23-12-11-20(14-22(16)23)25(31)29-28-24(30)19-9-6-10-21(13-19)34(32,33)26-15-18-7-4-3-5-8-18/h3-14,26-27H,15H2,1-2H3,(H,28,30)(H,29,31)
InChIKeyYZJIXUWVUYSHGU-UHFFFAOYSA-N
MW476.56 g/mol
LogP3.34
Rot. Bonds6

About N-benzyl-3-[[(2,3-dimethyl-1H-indole-5-carbonyl)amino]carbamoyl]benzenesulfonamide

N-benzyl-3-[[(2,3-dimethyl-1H-indole-5-carbonyl)amino]carbamoyl]benzenesulfonamide (PubChem CID 26826505) has the molecular formula C25H24N4O4S and a molecular weight of 476.56 g/mol. Its IUPAC name is N-benzyl-3-[[(2,3-dimethyl-1H-indole-5-carbonyl)amino]carbamoyl]benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-3-[[(2,3-dimethyl-1H-indole-5-carbonyl)amino]carbamoyl]benzenesulfonamide
PubChem CID26826505
Molecular FormulaC25H24N4O4S
Molecular Weight476.56 g/mol
Exact Mass476.15
IUPAC NameN-benzyl-3-[[(2,3-dimethyl-1H-indole-5-carbonyl)amino]carbamoyl]benzenesulfonamide
SMILESCc1[nH]c2ccc(C(=O)NNC(=O)c3cccc(S(=O)(=O)NCc4ccccc4)c3)cc2c1C
InChIInChI=1S/C25H24N4O4S/c1-16-17(2)27-23-12-11-20(14-22(16)23)25(31)29-28-24(30)19-9-6-10-21(13-19)34(32,33)26-15-18-7-4-3-5-8-18/h3-14,26-27H,15H2,1-2H3,(H,28,30)(H,29,31)
InChIKeyYZJIXUWVUYSHGU-UHFFFAOYSA-N
XLogP3.34
TPSA120.16 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.56
LogP ≤ 53.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 5-[[[3-(benzylsulfamoyl)benzoyl]amino]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 27690183
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CID 26587155
N-benzyl-3-(hydrazinecarbonyl)benzenesulfonamide
CID 2442245
N-benzyl-3-[[(4-fluoro-1-benzothiophene-2-carbonyl)amino]carbamoyl]benzenesulfonamide
CID 43016972
N-[2-[2-[3-(benzylsulfamoyl)benzoyl]hydrazinyl]-2-oxoethyl]-4-fluorobenzamide
CID 27690298
N-benzyl-3-[[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]carbamoyl]benzenesulfonamide
CID 26247665
N-benzyl-3-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]carbamoyl]benzenesulfonamide
CID 24502761
N-benzyl-3-[[(2-naphthalen-2-ylacetyl)amino]carbamoyl]benzenesulfonamide
CID 27690215
3-(benzylsulfamoyl)-N-(2,4-dimethylphenyl)benzamide
CID 9342801
3-(benzylsulfamoyl)-N-cyclopropylbenzamide
CID 9165600
1-phenylethyl 3-(benzylsulfamoyl)benzoate
CID 16520938
N-(2-benzylphenyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 4785719

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[[(2,3-dimethyl-1H-indole-5-carbonyl)amino]carbamoyl]benzenesulfonamide?
The IUPAC name of N-benzyl-3-[[(2,3-dimethyl-1H-indole-5-carbonyl)amino]carbamoyl]benzenesulfonamide (CID 26826505) is N-benzyl-3-[[(2,3-dimethyl-1H-indole-5-carbonyl)amino]carbamoyl]benzenesulfonamide.
What is the SMILES notation for N-benzyl-3-[[(2,3-dimethyl-1H-indole-5-carbonyl)amino]carbamoyl]benzenesulfonamide?
The canonical SMILES for N-benzyl-3-[[(2,3-dimethyl-1H-indole-5-carbonyl)amino]carbamoyl]benzenesulfonamide is Cc1[nH]c2ccc(C(=O)NNC(=O)c3cccc(S(=O)(=O)NCc4ccccc4)c3)cc2c1C.
What is the InChIKey of N-benzyl-3-[[(2,3-dimethyl-1H-indole-5-carbonyl)amino]carbamoyl]benzenesulfonamide?
The InChIKey is YZJIXUWVUYSHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O4S/c1-16-17(2)27-23-12-11-20(14-22(16)23)25(31)29-28-24(30)19-9-6-10-21(13-19)34(32,33)26-15-18-7-4-3-5-8-18/h3-14,26-27H,15H2,1-2H3,(H,28,30)(H,29,31).
What are the key properties of N-benzyl-3-[[(2,3-dimethyl-1H-indole-5-carbonyl)amino]carbamoyl]benzenesulfonamide?
N-benzyl-3-[[(2,3-dimethyl-1H-indole-5-carbonyl)amino]carbamoyl]benzenesulfonamide has a molecular weight of 476.56 g/mol, XLogP of 3.34, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[[(2,3-dimethyl-1H-indole-5-carbonyl)amino]carbamoyl]benzenesulfonamide is sourced from PubChem (CID 26826505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).