N-[3-(1,3-benzodioxol-5-yl)propyl]-2-oxo-1,3-dihydroindole-5-sulfonamide

C18H18N2O5S — CID 110371283

IUPACN-[3-(1,3-benzodioxol-5-yl)propyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESO=C1Cc2cc(S(=O)(=O)NCCCc3ccc4c(c3)OCO4)ccc2N1
InChIInChI=1S/C18H18N2O5S/c21-18-10-13-9-14(4-5-15(13)20-18)26(22,23)19-7-1-2-12-3-6-16-17(8-12)25-11-24-16/h3-6,8-9,19H,1-2,7,10-11H2,(H,20,21)
InChIKeyGCRKCGYUOSGZKC-UHFFFAOYSA-N
MW374.42 g/mol
LogP1.82
Rot. Bonds6

About N-[3-(1,3-benzodioxol-5-yl)propyl]-2-oxo-1,3-dihydroindole-5-sulfonamide

N-[3-(1,3-benzodioxol-5-yl)propyl]-2-oxo-1,3-dihydroindole-5-sulfonamide (PubChem CID 110371283) has the molecular formula C18H18N2O5S and a molecular weight of 374.42 g/mol. Its IUPAC name is N-[3-(1,3-benzodioxol-5-yl)propyl]-2-oxo-1,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound NameN-[3-(1,3-benzodioxol-5-yl)propyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
PubChem CID110371283
Molecular FormulaC18H18N2O5S
Molecular Weight374.42 g/mol
Exact Mass374.09
IUPAC NameN-[3-(1,3-benzodioxol-5-yl)propyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESO=C1Cc2cc(S(=O)(=O)NCCCc3ccc4c(c3)OCO4)ccc2N1
InChIInChI=1S/C18H18N2O5S/c21-18-10-13-9-14(4-5-15(13)20-18)26(22,23)19-7-1-2-12-3-6-16-17(8-12)25-11-24-16/h3-6,8-9,19H,1-2,7,10-11H2,(H,20,21)
InChIKeyGCRKCGYUOSGZKC-UHFFFAOYSA-N
XLogP1.82
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-fluorophenyl)butyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110288772
N-[4-(4-chlorophenyl)butyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110357511
N-(3-aminopropyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 28754114
N-[2-(4-chlorophenyl)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 113098245
4-fluoro-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]benzenesulfonamide
CID 110788495
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110787143
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 17451134
2-oxo-N-[2-(1H-pyrrol-3-yl)ethyl]-1,3-dihydroindole-5-sulfonamide
CID 110789472
5-[3-(1,3-benzodioxol-5-yl)-2-oxopropyl]-1,3-dihydroindol-2-one
CID 164994429
N-[2-(2,5-dimethyl-1H-pyrrol-3-yl)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110641619
N-[2-(1,3-benzodioxol-5-yl)ethyl]-3,4-dichlorobenzenesulfonamide
CID 3807874
N-[2-(1-methylpyrrol-3-yl)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110789291

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzodioxol-5-yl)propyl]-2-oxo-1,3-dihydroindole-5-sulfonamide?
The IUPAC name of N-[3-(1,3-benzodioxol-5-yl)propyl]-2-oxo-1,3-dihydroindole-5-sulfonamide (CID 110371283) is N-[3-(1,3-benzodioxol-5-yl)propyl]-2-oxo-1,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for N-[3-(1,3-benzodioxol-5-yl)propyl]-2-oxo-1,3-dihydroindole-5-sulfonamide?
The canonical SMILES for N-[3-(1,3-benzodioxol-5-yl)propyl]-2-oxo-1,3-dihydroindole-5-sulfonamide is O=C1Cc2cc(S(=O)(=O)NCCCc3ccc4c(c3)OCO4)ccc2N1.
What is the InChIKey of N-[3-(1,3-benzodioxol-5-yl)propyl]-2-oxo-1,3-dihydroindole-5-sulfonamide?
The InChIKey is GCRKCGYUOSGZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5S/c21-18-10-13-9-14(4-5-15(13)20-18)26(22,23)19-7-1-2-12-3-6-16-17(8-12)25-11-24-16/h3-6,8-9,19H,1-2,7,10-11H2,(H,20,21).
What are the key properties of N-[3-(1,3-benzodioxol-5-yl)propyl]-2-oxo-1,3-dihydroindole-5-sulfonamide?
N-[3-(1,3-benzodioxol-5-yl)propyl]-2-oxo-1,3-dihydroindole-5-sulfonamide has a molecular weight of 374.42 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzodioxol-5-yl)propyl]-2-oxo-1,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 110371283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).