2-oxo-N-[2-(1H-pyrrol-3-yl)ethyl]-1,3-dihydroindole-5-sulfonamide

C14H15N3O3S — CID 110789472

IUPAC2-oxo-N-[2-(1H-pyrrol-3-yl)ethyl]-1,3-dihydroindole-5-sulfonamide
SMILESO=C1Cc2cc(S(=O)(=O)NCCc3cc[nH]c3)ccc2N1
InChIInChI=1S/C14H15N3O3S/c18-14-8-11-7-12(1-2-13(11)17-14)21(19,20)16-6-4-10-3-5-15-9-10/h1-3,5,7,9,15-16H,4,6,8H2,(H,17,18)
InChIKeyQKYIGRWQAZXACA-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.03
Rot. Bonds5

About 2-oxo-N-[2-(1H-pyrrol-3-yl)ethyl]-1,3-dihydroindole-5-sulfonamide

2-oxo-N-[2-(1H-pyrrol-3-yl)ethyl]-1,3-dihydroindole-5-sulfonamide (PubChem CID 110789472) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 2-oxo-N-[2-(1H-pyrrol-3-yl)ethyl]-1,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name2-oxo-N-[2-(1H-pyrrol-3-yl)ethyl]-1,3-dihydroindole-5-sulfonamide
PubChem CID110789472
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name2-oxo-N-[2-(1H-pyrrol-3-yl)ethyl]-1,3-dihydroindole-5-sulfonamide
SMILESO=C1Cc2cc(S(=O)(=O)NCCc3cc[nH]c3)ccc2N1
InChIInChI=1S/C14H15N3O3S/c18-14-8-11-7-12(1-2-13(11)17-14)21(19,20)16-6-4-10-3-5-15-9-10/h1-3,5,7,9,15-16H,4,6,8H2,(H,17,18)
InChIKeyQKYIGRWQAZXACA-UHFFFAOYSA-N
XLogP1.03
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 113098245
N-[2-(1-methylpyrrol-3-yl)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110789291
4-fluoro-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]benzenesulfonamide
CID 110788495
N-(3-aminopropyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 28754114
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-[2-(2,5-dimethyl-1H-pyrrol-3-yl)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110641619
N-[2-(1-methylindol-3-yl)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 113083964
2-oxo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1,3-dihydroindole-5-sulfonamide
CID 104972452
N-[3-(1,3-benzodioxol-5-yl)propyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110371283
N-[2-(1,3-dioxan-2-yl)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110398488
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110716719

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[2-(1H-pyrrol-3-yl)ethyl]-1,3-dihydroindole-5-sulfonamide?
The IUPAC name of 2-oxo-N-[2-(1H-pyrrol-3-yl)ethyl]-1,3-dihydroindole-5-sulfonamide (CID 110789472) is 2-oxo-N-[2-(1H-pyrrol-3-yl)ethyl]-1,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 2-oxo-N-[2-(1H-pyrrol-3-yl)ethyl]-1,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 2-oxo-N-[2-(1H-pyrrol-3-yl)ethyl]-1,3-dihydroindole-5-sulfonamide is O=C1Cc2cc(S(=O)(=O)NCCc3cc[nH]c3)ccc2N1.
What is the InChIKey of 2-oxo-N-[2-(1H-pyrrol-3-yl)ethyl]-1,3-dihydroindole-5-sulfonamide?
The InChIKey is QKYIGRWQAZXACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c18-14-8-11-7-12(1-2-13(11)17-14)21(19,20)16-6-4-10-3-5-15-9-10/h1-3,5,7,9,15-16H,4,6,8H2,(H,17,18).
What are the key properties of 2-oxo-N-[2-(1H-pyrrol-3-yl)ethyl]-1,3-dihydroindole-5-sulfonamide?
2-oxo-N-[2-(1H-pyrrol-3-yl)ethyl]-1,3-dihydroindole-5-sulfonamide has a molecular weight of 305.36 g/mol, XLogP of 1.03, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[2-(1H-pyrrol-3-yl)ethyl]-1,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 110789472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).