N-[4-(benzenesulfonamidocarbamoyl)phenyl]-4-pentylbenzenesulfonamide

C24H27N3O5S2 — CID 10289140

IUPACN-[4-(benzenesulfonamidocarbamoyl)phenyl]-4-pentylbenzenesulfonamide
SMILESCCCCCc1ccc(S(=O)(=O)Nc2ccc(C(=O)NNS(=O)(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C24H27N3O5S2/c1-2-3-5-8-19-11-17-23(18-12-19)33(29,30)26-21-15-13-20(14-16-21)24(28)25-27-34(31,32)22-9-6-4-7-10-22/h4,6-7,9-18,26-27H,2-3,5,8H2,1H3,(H,25,28)
InChIKeyDINCBRNLTWPJLA-UHFFFAOYSA-N
MW501.63 g/mol
LogP3.84
Rot. Bonds11

About N-[4-(benzenesulfonamidocarbamoyl)phenyl]-4-pentylbenzenesulfonamide

N-[4-(benzenesulfonamidocarbamoyl)phenyl]-4-pentylbenzenesulfonamide (PubChem CID 10289140) has the molecular formula C24H27N3O5S2 and a molecular weight of 501.63 g/mol. Its IUPAC name is N-[4-(benzenesulfonamidocarbamoyl)phenyl]-4-pentylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(benzenesulfonamidocarbamoyl)phenyl]-4-pentylbenzenesulfonamide
PubChem CID10289140
Molecular FormulaC24H27N3O5S2
Molecular Weight501.63 g/mol
Exact Mass501.14
IUPAC NameN-[4-(benzenesulfonamidocarbamoyl)phenyl]-4-pentylbenzenesulfonamide
SMILESCCCCCc1ccc(S(=O)(=O)Nc2ccc(C(=O)NNS(=O)(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C24H27N3O5S2/c1-2-3-5-8-19-11-17-23(18-12-19)33(29,30)26-21-15-13-20(14-16-21)24(28)25-27-34(31,32)22-9-6-4-7-10-22/h4,6-7,9-18,26-27H,2-3,5,8H2,1H3,(H,25,28)
InChIKeyDINCBRNLTWPJLA-UHFFFAOYSA-N
XLogP3.84
TPSA121.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.63
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(benzenesulfonamido)-N-(4-butylphenyl)benzamide
CID 2231369
N-(4-anilinophenyl)-4-hexylbenzenesulfonamide
CID 84552335
N-[4-(benzenesulfonamidocarbamoyl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 10311292
N-(4-pentanoylphenyl)benzenesulfonamide
CID 4248853
N-[4-(benzenesulfonamidocarbamoyl)phenyl]-3,4-dimethoxybenzenesulfonamide
CID 90786253
N-hexyl-4-(phenylsulfamoyl)benzamide
CID 32646547
N-[2-[2-(4-butylbenzoyl)hydrazinyl]-2-oxoethyl]benzenesulfonamide
CID 9089374
N-butyl-4-(phenylsulfamoyl)benzamide
CID 18106255
N-[4-[(4-butylphenyl)sulfonylamino]phenyl]acetamide
CID 22774827
3-[2-[4-[(4-butylphenyl)sulfonylamino]phenyl]ethyl]benzoic acid
CID 68688780
2-[2-[4-[(4-butylphenyl)sulfonylamino]phenyl]ethyl]benzoic acid
CID 68690589
4-pentyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzenesulfonamide
CID 3868589

Frequently Asked Questions

What is the IUPAC name of N-[4-(benzenesulfonamidocarbamoyl)phenyl]-4-pentylbenzenesulfonamide?
The IUPAC name of N-[4-(benzenesulfonamidocarbamoyl)phenyl]-4-pentylbenzenesulfonamide (CID 10289140) is N-[4-(benzenesulfonamidocarbamoyl)phenyl]-4-pentylbenzenesulfonamide.
What is the SMILES notation for N-[4-(benzenesulfonamidocarbamoyl)phenyl]-4-pentylbenzenesulfonamide?
The canonical SMILES for N-[4-(benzenesulfonamidocarbamoyl)phenyl]-4-pentylbenzenesulfonamide is CCCCCc1ccc(S(=O)(=O)Nc2ccc(C(=O)NNS(=O)(=O)c3ccccc3)cc2)cc1.
What is the InChIKey of N-[4-(benzenesulfonamidocarbamoyl)phenyl]-4-pentylbenzenesulfonamide?
The InChIKey is DINCBRNLTWPJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O5S2/c1-2-3-5-8-19-11-17-23(18-12-19)33(29,30)26-21-15-13-20(14-16-21)24(28)25-27-34(31,32)22-9-6-4-7-10-22/h4,6-7,9-18,26-27H,2-3,5,8H2,1H3,(H,25,28).
What are the key properties of N-[4-(benzenesulfonamidocarbamoyl)phenyl]-4-pentylbenzenesulfonamide?
N-[4-(benzenesulfonamidocarbamoyl)phenyl]-4-pentylbenzenesulfonamide has a molecular weight of 501.63 g/mol, XLogP of 3.84, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(benzenesulfonamidocarbamoyl)phenyl]-4-pentylbenzenesulfonamide is sourced from PubChem (CID 10289140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).