N,N-diethyl-1-[(1-phenyltetrazol-5-yl)methyl]-2,3-dihydroindole-5-sulfonamide

C20H24N6O2S — CID 38268645

IUPACN,N-diethyl-1-[(1-phenyltetrazol-5-yl)methyl]-2,3-dihydroindole-5-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2Cc1nnnn1-c1ccccc1
InChIInChI=1S/C20H24N6O2S/c1-3-25(4-2)29(27,28)18-10-11-19-16(14-18)12-13-24(19)15-20-21-22-23-26(20)17-8-6-5-7-9-17/h5-11,14H,3-4,12-13,15H2,1-2H3
InChIKeyGIYRCUXGTSKYBL-UHFFFAOYSA-N
MW412.52 g/mol
LogP2.26
Rot. Bonds7

About N,N-diethyl-1-[(1-phenyltetrazol-5-yl)methyl]-2,3-dihydroindole-5-sulfonamide

N,N-diethyl-1-[(1-phenyltetrazol-5-yl)methyl]-2,3-dihydroindole-5-sulfonamide (PubChem CID 38268645) has the molecular formula C20H24N6O2S and a molecular weight of 412.52 g/mol. Its IUPAC name is N,N-diethyl-1-[(1-phenyltetrazol-5-yl)methyl]-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-1-[(1-phenyltetrazol-5-yl)methyl]-2,3-dihydroindole-5-sulfonamide
PubChem CID38268645
Molecular FormulaC20H24N6O2S
Molecular Weight412.52 g/mol
Exact Mass412.17
IUPAC NameN,N-diethyl-1-[(1-phenyltetrazol-5-yl)methyl]-2,3-dihydroindole-5-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2Cc1nnnn1-c1ccccc1
InChIInChI=1S/C20H24N6O2S/c1-3-25(4-2)29(27,28)18-10-11-19-16(14-18)12-13-24(19)15-20-21-22-23-26(20)17-8-6-5-7-9-17/h5-11,14H,3-4,12-13,15H2,1-2H3
InChIKeyGIYRCUXGTSKYBL-UHFFFAOYSA-N
XLogP2.26
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[(1-phenyltetrazol-5-yl)methyl]-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of N,N-diethyl-1-[(1-phenyltetrazol-5-yl)methyl]-2,3-dihydroindole-5-sulfonamide (CID 38268645) is N,N-diethyl-1-[(1-phenyltetrazol-5-yl)methyl]-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for N,N-diethyl-1-[(1-phenyltetrazol-5-yl)methyl]-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for N,N-diethyl-1-[(1-phenyltetrazol-5-yl)methyl]-2,3-dihydroindole-5-sulfonamide is CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2Cc1nnnn1-c1ccccc1.
What is the InChIKey of N,N-diethyl-1-[(1-phenyltetrazol-5-yl)methyl]-2,3-dihydroindole-5-sulfonamide?
The InChIKey is GIYRCUXGTSKYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2S/c1-3-25(4-2)29(27,28)18-10-11-19-16(14-18)12-13-24(19)15-20-21-22-23-26(20)17-8-6-5-7-9-17/h5-11,14H,3-4,12-13,15H2,1-2H3.
What are the key properties of N,N-diethyl-1-[(1-phenyltetrazol-5-yl)methyl]-2,3-dihydroindole-5-sulfonamide?
N,N-diethyl-1-[(1-phenyltetrazol-5-yl)methyl]-2,3-dihydroindole-5-sulfonamide has a molecular weight of 412.52 g/mol, XLogP of 2.26, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[(1-phenyltetrazol-5-yl)methyl]-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 38268645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).