1-methyl-2-oxo-N-pyrimidin-2-yl-3H-indole-5-sulfonamide

C13H12N4O3S — CID 110756701

IUPAC1-methyl-2-oxo-N-pyrimidin-2-yl-3H-indole-5-sulfonamide
SMILESCN1C(=O)Cc2cc(S(=O)(=O)Nc3ncccn3)ccc21
InChIInChI=1S/C13H12N4O3S/c1-17-11-4-3-10(7-9(11)8-12(17)18)21(19,20)16-13-14-5-2-6-15-13/h2-7H,8H2,1H3,(H,14,15,16)
InChIKeyXAPJRBCRZBTNBB-UHFFFAOYSA-N
MW304.33 g/mol
LogP0.80
Rot. Bonds3

About 1-methyl-2-oxo-N-pyrimidin-2-yl-3H-indole-5-sulfonamide

1-methyl-2-oxo-N-pyrimidin-2-yl-3H-indole-5-sulfonamide (PubChem CID 110756701) has the molecular formula C13H12N4O3S and a molecular weight of 304.33 g/mol. Its IUPAC name is 1-methyl-2-oxo-N-pyrimidin-2-yl-3H-indole-5-sulfonamide.

Molecular Properties

Compound Name1-methyl-2-oxo-N-pyrimidin-2-yl-3H-indole-5-sulfonamide
PubChem CID110756701
Molecular FormulaC13H12N4O3S
Molecular Weight304.33 g/mol
Exact Mass304.06
IUPAC Name1-methyl-2-oxo-N-pyrimidin-2-yl-3H-indole-5-sulfonamide
SMILESCN1C(=O)Cc2cc(S(=O)(=O)Nc3ncccn3)ccc21
InChIInChI=1S/C13H12N4O3S/c1-17-11-4-3-10(7-9(11)8-12(17)18)21(19,20)16-13-14-5-2-6-15-13/h2-7H,8H2,1H3,(H,14,15,16)
InChIKeyXAPJRBCRZBTNBB-UHFFFAOYSA-N
XLogP0.80
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-2-oxo-N-quinolin-8-yl-3H-indole-5-sulfonamide
CID 17498186
N-(4-tert-butylphenyl)-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 25417077
N-(2-tert-butylphenyl)-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 113098520
1-methyl-2-oxo-N-(2-oxo-1H-pyridin-3-yl)-3H-indole-5-sulfonamide
CID 110727217
N-(2,3-dihydro-1H-inden-5-yl)-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 25417411
1-methyl-2-oxo-N-(2-pyrrol-1-ylethyl)-3H-indole-5-sulfonamide
CID 110716372
1-methyl-2-oxo-N-(quinoxalin-6-ylmethyl)-3H-indole-5-sulfonamide
CID 110672337
N-[6-(diethylamino)pyridazin-3-yl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 113044066
N-[2-(ethylamino)ethyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 62664588
3,4-dimethyl-N-(1-methyl-2-oxo-3H-indol-5-yl)benzenesulfonamide
CID 18570723
1-methyl-2-oxo-N-(1-pyridin-4-ylethyl)-3H-indole-5-sulfonamide
CID 110724562
N-[2-(4-ethoxyphenoxy)phenyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 17460804

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-N-pyrimidin-2-yl-3H-indole-5-sulfonamide?
The IUPAC name of 1-methyl-2-oxo-N-pyrimidin-2-yl-3H-indole-5-sulfonamide (CID 110756701) is 1-methyl-2-oxo-N-pyrimidin-2-yl-3H-indole-5-sulfonamide.
What is the SMILES notation for 1-methyl-2-oxo-N-pyrimidin-2-yl-3H-indole-5-sulfonamide?
The canonical SMILES for 1-methyl-2-oxo-N-pyrimidin-2-yl-3H-indole-5-sulfonamide is CN1C(=O)Cc2cc(S(=O)(=O)Nc3ncccn3)ccc21.
What is the InChIKey of 1-methyl-2-oxo-N-pyrimidin-2-yl-3H-indole-5-sulfonamide?
The InChIKey is XAPJRBCRZBTNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O3S/c1-17-11-4-3-10(7-9(11)8-12(17)18)21(19,20)16-13-14-5-2-6-15-13/h2-7H,8H2,1H3,(H,14,15,16).
What are the key properties of 1-methyl-2-oxo-N-pyrimidin-2-yl-3H-indole-5-sulfonamide?
1-methyl-2-oxo-N-pyrimidin-2-yl-3H-indole-5-sulfonamide has a molecular weight of 304.33 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-N-pyrimidin-2-yl-3H-indole-5-sulfonamide is sourced from PubChem (CID 110756701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).