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

C16H19N3O3S — CID 110641619

IUPACN-[2-(2,5-dimethyl-1H-pyrrol-3-yl)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESCc1cc(CCNS(=O)(=O)c2ccc3c(c2)CC(=O)N3)c(C)[nH]1
InChIInChI=1S/C16H19N3O3S/c1-10-7-12(11(2)18-10)5-6-17-23(21,22)14-3-4-15-13(8-14)9-16(20)19-15/h3-4,7-8,17-18H,5-6,9H2,1-2H3,(H,19,20)
InChIKeySPPDBZRSFVHHKU-UHFFFAOYSA-N
MW333.41 g/mol
LogP1.65
Rot. Bonds5

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

N-[2-(2,5-dimethyl-1H-pyrrol-3-yl)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide (PubChem CID 110641619) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is N-[2-(2,5-dimethyl-1H-pyrrol-3-yl)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound NameN-[2-(2,5-dimethyl-1H-pyrrol-3-yl)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
PubChem CID110641619
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC NameN-[2-(2,5-dimethyl-1H-pyrrol-3-yl)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESCc1cc(CCNS(=O)(=O)c2ccc3c(c2)CC(=O)N3)c(C)[nH]1
InChIInChI=1S/C16H19N3O3S/c1-10-7-12(11(2)18-10)5-6-17-23(21,22)14-3-4-15-13(8-14)9-16(20)19-15/h3-4,7-8,17-18H,5-6,9H2,1-2H3,(H,19,20)
InChIKeySPPDBZRSFVHHKU-UHFFFAOYSA-N
XLogP1.65
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,5-dimethyl-1H-pyrrol-3-yl)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 110641628
N-[2-(4-chlorophenyl)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 113098245
N-[2-(1-methylindol-3-yl)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 113083964
N-[2-(2,5-dimethyl-1H-pyrrol-3-yl)ethyl]-1,3-benzodioxole-5-sulfonamide
CID 110415763
2-oxo-N-[2-(1H-pyrrol-3-yl)ethyl]-1,3-dihydroindole-5-sulfonamide
CID 110789472
N-(3-aminopropyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 28754114
N-[2-(1-methylpyrrol-3-yl)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110789291
4-bromo-N-[2-(2,5-dimethyl-1H-pyrrol-3-yl)ethyl]benzenesulfonamide
CID 110641583
4-fluoro-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]benzenesulfonamide
CID 110788495
N-[4-(4-fluorophenyl)butyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110288772
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110716719
N-[4-(4-chlorophenyl)butyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110357511

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethyl-1H-pyrrol-3-yl)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide?
The IUPAC name of N-[2-(2,5-dimethyl-1H-pyrrol-3-yl)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide (CID 110641619) is N-[2-(2,5-dimethyl-1H-pyrrol-3-yl)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for N-[2-(2,5-dimethyl-1H-pyrrol-3-yl)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide?
The canonical SMILES for N-[2-(2,5-dimethyl-1H-pyrrol-3-yl)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide is Cc1cc(CCNS(=O)(=O)c2ccc3c(c2)CC(=O)N3)c(C)[nH]1.
What is the InChIKey of N-[2-(2,5-dimethyl-1H-pyrrol-3-yl)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide?
The InChIKey is SPPDBZRSFVHHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-10-7-12(11(2)18-10)5-6-17-23(21,22)14-3-4-15-13(8-14)9-16(20)19-15/h3-4,7-8,17-18H,5-6,9H2,1-2H3,(H,19,20).
What are the key properties of N-[2-(2,5-dimethyl-1H-pyrrol-3-yl)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide?
N-[2-(2,5-dimethyl-1H-pyrrol-3-yl)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide has a molecular weight of 333.41 g/mol, XLogP of 1.65, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethyl-1H-pyrrol-3-yl)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 110641619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).