N,1-dimethyl-N-[(1-methyltetrazol-5-yl)methyl]-2-oxo-3H-indole-5-sulfonamide

C13H16N6O3S — CID 110871146

IUPACN,1-dimethyl-N-[(1-methyltetrazol-5-yl)methyl]-2-oxo-3H-indole-5-sulfonamide
SMILESCN1C(=O)Cc2cc(S(=O)(=O)N(C)Cc3nnnn3C)ccc21
InChIInChI=1S/C13H16N6O3S/c1-17(8-12-14-15-16-19(12)3)23(21,22)10-4-5-11-9(6-10)7-13(20)18(11)2/h4-6H,7-8H2,1-3H3
InChIKeyYILROMUYWTUATQ-UHFFFAOYSA-N
MW336.38 g/mol
LogP-0.45
Rot. Bonds4

About N,1-dimethyl-N-[(1-methyltetrazol-5-yl)methyl]-2-oxo-3H-indole-5-sulfonamide

N,1-dimethyl-N-[(1-methyltetrazol-5-yl)methyl]-2-oxo-3H-indole-5-sulfonamide (PubChem CID 110871146) has the molecular formula C13H16N6O3S and a molecular weight of 336.38 g/mol. Its IUPAC name is N,1-dimethyl-N-[(1-methyltetrazol-5-yl)methyl]-2-oxo-3H-indole-5-sulfonamide.

Molecular Properties

Compound NameN,1-dimethyl-N-[(1-methyltetrazol-5-yl)methyl]-2-oxo-3H-indole-5-sulfonamide
PubChem CID110871146
Molecular FormulaC13H16N6O3S
Molecular Weight336.38 g/mol
Exact Mass336.10
IUPAC NameN,1-dimethyl-N-[(1-methyltetrazol-5-yl)methyl]-2-oxo-3H-indole-5-sulfonamide
SMILESCN1C(=O)Cc2cc(S(=O)(=O)N(C)Cc3nnnn3C)ccc21
InChIInChI=1S/C13H16N6O3S/c1-17(8-12-14-15-16-19(12)3)23(21,22)10-4-5-11-9(6-10)7-13(20)18(11)2/h4-6H,7-8H2,1-3H3
InChIKeyYILROMUYWTUATQ-UHFFFAOYSA-N
XLogP-0.45
TPSA101.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 5-0.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-[(1-methyltetrazol-5-yl)methyl]-2-oxo-3H-indole-5-sulfonamide?
The IUPAC name of N,1-dimethyl-N-[(1-methyltetrazol-5-yl)methyl]-2-oxo-3H-indole-5-sulfonamide (CID 110871146) is N,1-dimethyl-N-[(1-methyltetrazol-5-yl)methyl]-2-oxo-3H-indole-5-sulfonamide.
What is the SMILES notation for N,1-dimethyl-N-[(1-methyltetrazol-5-yl)methyl]-2-oxo-3H-indole-5-sulfonamide?
The canonical SMILES for N,1-dimethyl-N-[(1-methyltetrazol-5-yl)methyl]-2-oxo-3H-indole-5-sulfonamide is CN1C(=O)Cc2cc(S(=O)(=O)N(C)Cc3nnnn3C)ccc21.
What is the InChIKey of N,1-dimethyl-N-[(1-methyltetrazol-5-yl)methyl]-2-oxo-3H-indole-5-sulfonamide?
The InChIKey is YILROMUYWTUATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O3S/c1-17(8-12-14-15-16-19(12)3)23(21,22)10-4-5-11-9(6-10)7-13(20)18(11)2/h4-6H,7-8H2,1-3H3.
What are the key properties of N,1-dimethyl-N-[(1-methyltetrazol-5-yl)methyl]-2-oxo-3H-indole-5-sulfonamide?
N,1-dimethyl-N-[(1-methyltetrazol-5-yl)methyl]-2-oxo-3H-indole-5-sulfonamide has a molecular weight of 336.38 g/mol, XLogP of -0.45, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-[(1-methyltetrazol-5-yl)methyl]-2-oxo-3H-indole-5-sulfonamide is sourced from PubChem (CID 110871146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).