N-[4-(4-chlorophenyl)butyl]-2-oxo-1,3-dihydroindole-5-sulfonamide

C18H19ClN2O3S — CID 110357511

IUPACN-[4-(4-chlorophenyl)butyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESO=C1Cc2cc(S(=O)(=O)NCCCCc3ccc(Cl)cc3)ccc2N1
InChIInChI=1S/C18H19ClN2O3S/c19-15-6-4-13(5-7-15)3-1-2-10-20-25(23,24)16-8-9-17-14(11-16)12-18(22)21-17/h4-9,11,20H,1-3,10,12H2,(H,21,22)
InChIKeyHZKNRTUMCAYSFT-UHFFFAOYSA-N
MW378.88 g/mol
LogP3.14
Rot. Bonds7

About N-[4-(4-chlorophenyl)butyl]-2-oxo-1,3-dihydroindole-5-sulfonamide

N-[4-(4-chlorophenyl)butyl]-2-oxo-1,3-dihydroindole-5-sulfonamide (PubChem CID 110357511) has the molecular formula C18H19ClN2O3S and a molecular weight of 378.88 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)butyl]-2-oxo-1,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)butyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
PubChem CID110357511
Molecular FormulaC18H19ClN2O3S
Molecular Weight378.88 g/mol
Exact Mass378.08
IUPAC NameN-[4-(4-chlorophenyl)butyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESO=C1Cc2cc(S(=O)(=O)NCCCCc3ccc(Cl)cc3)ccc2N1
InChIInChI=1S/C18H19ClN2O3S/c19-15-6-4-13(5-7-15)3-1-2-10-20-25(23,24)16-8-9-17-14(11-16)12-18(22)21-17/h4-9,11,20H,1-3,10,12H2,(H,21,22)
InChIKeyHZKNRTUMCAYSFT-UHFFFAOYSA-N
XLogP3.14
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.88
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 113098245
N-[4-(4-fluorophenyl)butyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110288772
N-(3-aminopropyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 28754114
N-[3-(1,3-benzodioxol-5-yl)propyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110371283
N-[4-(4-chlorophenyl)butyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 110357512
2-oxo-N-[2-(1H-pyrrol-3-yl)ethyl]-1,3-dihydroindole-5-sulfonamide
CID 110789472
N-[2-(4-chlorophenyl)-2-hydroxypropyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110291596
N-(4-chlorophenyl)-2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]acetamide
CID 112997954
4-fluoro-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]benzenesulfonamide
CID 110788495
N-[(4-chloro-2-fluorophenyl)methyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 139975297
N-[2-(1-methylpyrrol-3-yl)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110789291
N-[2-(2,5-dimethyl-1H-pyrrol-3-yl)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110641619

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)butyl]-2-oxo-1,3-dihydroindole-5-sulfonamide?
The IUPAC name of N-[4-(4-chlorophenyl)butyl]-2-oxo-1,3-dihydroindole-5-sulfonamide (CID 110357511) is N-[4-(4-chlorophenyl)butyl]-2-oxo-1,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)butyl]-2-oxo-1,3-dihydroindole-5-sulfonamide?
The canonical SMILES for N-[4-(4-chlorophenyl)butyl]-2-oxo-1,3-dihydroindole-5-sulfonamide is O=C1Cc2cc(S(=O)(=O)NCCCCc3ccc(Cl)cc3)ccc2N1.
What is the InChIKey of N-[4-(4-chlorophenyl)butyl]-2-oxo-1,3-dihydroindole-5-sulfonamide?
The InChIKey is HZKNRTUMCAYSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3S/c19-15-6-4-13(5-7-15)3-1-2-10-20-25(23,24)16-8-9-17-14(11-16)12-18(22)21-17/h4-9,11,20H,1-3,10,12H2,(H,21,22).
What are the key properties of N-[4-(4-chlorophenyl)butyl]-2-oxo-1,3-dihydroindole-5-sulfonamide?
N-[4-(4-chlorophenyl)butyl]-2-oxo-1,3-dihydroindole-5-sulfonamide has a molecular weight of 378.88 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)butyl]-2-oxo-1,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 110357511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).