N,N-diethyl-2,3-dihydro-1H-indole-5-sulfonamide

C12H18N2O2S — CID 7064087

IUPACN,N-diethyl-2,3-dihydro-1H-indole-5-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2
InChIInChI=1S/C12H18N2O2S/c1-3-14(4-2)17(15,16)11-5-6-12-10(9-11)7-8-13-12/h5-6,9,13H,3-4,7-8H2,1-2H3
InChIKeyLDAUEKPMNUEUGU-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.69
Rot. Bonds4

About N,N-diethyl-2,3-dihydro-1H-indole-5-sulfonamide

N,N-diethyl-2,3-dihydro-1H-indole-5-sulfonamide (PubChem CID 7064087) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is N,N-diethyl-2,3-dihydro-1H-indole-5-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-2,3-dihydro-1H-indole-5-sulfonamide
PubChem CID7064087
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC NameN,N-diethyl-2,3-dihydro-1H-indole-5-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2
InChIInChI=1S/C12H18N2O2S/c1-3-14(4-2)17(15,16)11-5-6-12-10(9-11)7-8-13-12/h5-6,9,13H,3-4,7-8H2,1-2H3
InChIKeyLDAUEKPMNUEUGU-UHFFFAOYSA-N
XLogP1.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2,3-dihydro-1H-indole-5-sulfonamide?
The IUPAC name of N,N-diethyl-2,3-dihydro-1H-indole-5-sulfonamide (CID 7064087) is N,N-diethyl-2,3-dihydro-1H-indole-5-sulfonamide.
What is the SMILES notation for N,N-diethyl-2,3-dihydro-1H-indole-5-sulfonamide?
The canonical SMILES for N,N-diethyl-2,3-dihydro-1H-indole-5-sulfonamide is CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2.
What is the InChIKey of N,N-diethyl-2,3-dihydro-1H-indole-5-sulfonamide?
The InChIKey is LDAUEKPMNUEUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-3-14(4-2)17(15,16)11-5-6-12-10(9-11)7-8-13-12/h5-6,9,13H,3-4,7-8H2,1-2H3.
What are the key properties of N,N-diethyl-2,3-dihydro-1H-indole-5-sulfonamide?
N,N-diethyl-2,3-dihydro-1H-indole-5-sulfonamide has a molecular weight of 254.35 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2,3-dihydro-1H-indole-5-sulfonamide is sourced from PubChem (CID 7064087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).