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

C17H18N6O2S — CID 25349108

IUPAC(2R)-2-methyl-1-[(1-phenyltetrazol-5-yl)methyl]-2,3-dihydroindole-5-sulfonamide
SMILESC[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1Cc1nnnn1-c1ccccc1
InChIInChI=1S/C17H18N6O2S/c1-12-9-13-10-15(26(18,24)25)7-8-16(13)22(12)11-17-19-20-21-23(17)14-5-3-2-4-6-14/h2-8,10,12H,9,11H2,1H3,(H2,18,24,25)/t12-/m1/s1
InChIKeyNIVVSFJPZSPLPN-GFCCVEGCSA-N
MW370.44 g/mol
LogP1.26
Rot. Bonds4

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

(2R)-2-methyl-1-[(1-phenyltetrazol-5-yl)methyl]-2,3-dihydroindole-5-sulfonamide (PubChem CID 25349108) has the molecular formula C17H18N6O2S and a molecular weight of 370.44 g/mol. Its IUPAC name is (2R)-2-methyl-1-[(1-phenyltetrazol-5-yl)methyl]-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name(2R)-2-methyl-1-[(1-phenyltetrazol-5-yl)methyl]-2,3-dihydroindole-5-sulfonamide
PubChem CID25349108
Molecular FormulaC17H18N6O2S
Molecular Weight370.44 g/mol
Exact Mass370.12
IUPAC Name(2R)-2-methyl-1-[(1-phenyltetrazol-5-yl)methyl]-2,3-dihydroindole-5-sulfonamide
SMILESC[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1Cc1nnnn1-c1ccccc1
InChIInChI=1S/C17H18N6O2S/c1-12-9-13-10-15(26(18,24)25)7-8-16(13)22(12)11-17-19-20-21-23(17)14-5-3-2-4-6-14/h2-8,10,12H,9,11H2,1H3,(H2,18,24,25)/t12-/m1/s1
InChIKeyNIVVSFJPZSPLPN-GFCCVEGCSA-N
XLogP1.26
TPSA107.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.44
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-1-[(1-phenyltetrazol-5-yl)methyl]-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of (2R)-2-methyl-1-[(1-phenyltetrazol-5-yl)methyl]-2,3-dihydroindole-5-sulfonamide (CID 25349108) is (2R)-2-methyl-1-[(1-phenyltetrazol-5-yl)methyl]-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for (2R)-2-methyl-1-[(1-phenyltetrazol-5-yl)methyl]-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for (2R)-2-methyl-1-[(1-phenyltetrazol-5-yl)methyl]-2,3-dihydroindole-5-sulfonamide is C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1Cc1nnnn1-c1ccccc1.
What is the InChIKey of (2R)-2-methyl-1-[(1-phenyltetrazol-5-yl)methyl]-2,3-dihydroindole-5-sulfonamide?
The InChIKey is NIVVSFJPZSPLPN-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H18N6O2S/c1-12-9-13-10-15(26(18,24)25)7-8-16(13)22(12)11-17-19-20-21-23(17)14-5-3-2-4-6-14/h2-8,10,12H,9,11H2,1H3,(H2,18,24,25)/t12-/m1/s1.
What are the key properties of (2R)-2-methyl-1-[(1-phenyltetrazol-5-yl)methyl]-2,3-dihydroindole-5-sulfonamide?
(2R)-2-methyl-1-[(1-phenyltetrazol-5-yl)methyl]-2,3-dihydroindole-5-sulfonamide has a molecular weight of 370.44 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-1-[(1-phenyltetrazol-5-yl)methyl]-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 25349108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).