(1S)-1-methyl-N-pyrimidin-2-yl-2,3-dihydro-1H-indene-5-sulfonamide

C14H15N3O2S — CID 142424100

IUPAC(1S)-1-methyl-N-pyrimidin-2-yl-2,3-dihydro-1H-indene-5-sulfonamide
SMILESC[C@H]1CCc2cc(S(=O)(=O)Nc3ncccn3)ccc21
InChIInChI=1S/C14H15N3O2S/c1-10-3-4-11-9-12(5-6-13(10)11)20(18,19)17-14-15-7-2-8-16-14/h2,5-10H,3-4H2,1H3,(H,15,16,17)/t10-/m0/s1
InChIKeyOSMPUYWCRSHYME-JTQLQIEISA-N
MW289.36 g/mol
LogP2.33
Rot. Bonds3

About (1S)-1-methyl-N-pyrimidin-2-yl-2,3-dihydro-1H-indene-5-sulfonamide

(1S)-1-methyl-N-pyrimidin-2-yl-2,3-dihydro-1H-indene-5-sulfonamide (PubChem CID 142424100) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is (1S)-1-methyl-N-pyrimidin-2-yl-2,3-dihydro-1H-indene-5-sulfonamide.

Molecular Properties

Compound Name(1S)-1-methyl-N-pyrimidin-2-yl-2,3-dihydro-1H-indene-5-sulfonamide
PubChem CID142424100
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC Name(1S)-1-methyl-N-pyrimidin-2-yl-2,3-dihydro-1H-indene-5-sulfonamide
SMILESC[C@H]1CCc2cc(S(=O)(=O)Nc3ncccn3)ccc21
InChIInChI=1S/C14H15N3O2S/c1-10-3-4-11-9-12(5-6-13(10)11)20(18,19)17-14-15-7-2-8-16-14/h2,5-10H,3-4H2,1H3,(H,15,16,17)/t10-/m0/s1
InChIKeyOSMPUYWCRSHYME-JTQLQIEISA-N
XLogP2.33
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[2-pyridin-4-yl-4-(trifluoromethyl)phenyl]-N-pyrimidin-2-yl-2,3-dihydro-1H-indene-5-sulfonamide
CID 142424073
(1S)-1-[2-(6-methyl-3-pyridinyl)-4-(trifluoromethyl)phenyl]-N-pyrimidin-2-yl-2,3-dihydro-1H-indene-5-sulfonamide
CID 142424020
(1S)-1-[2-(2,4-difluorophenyl)-4-(trifluoromethyl)phenyl]-N-pyrimidin-2-yl-2,3-dihydro-1H-indene-5-sulfonamide
CID 154031714
5-(2-ethylphenyl)sulfonyl-1-methyl-2,3-dihydro-1H-indene
CID 58929230
1-methyl-2-oxo-N-pyrimidin-2-yl-3H-indole-5-sulfonamide
CID 110756701
4-tert-butyl-N-pyrimidin-2-ylbenzenesulfonamide
CID 19683562
silver 4-amino-N-pyrimidin-2-ylbenzenesulfonamide
CID 6711387
4-chloro-N-pyrimidin-2-ylbenzenesulfonamide
CID 935725
4-fluoro-N-pyrimidin-2-ylbenzenesulfonamide
CID 669150
bis(4-amino-N-pyrimidin-2-ylbenzenesulfonamide) dichloride
CID 18407969
3-chloro-4-methoxy-N-pyrimidin-2-ylbenzenesulfonamide
CID 110756685
2-methyl-3-oxo-N-pyrimidin-2-yl-4H-1,4-benzothiazine-6-sulfonamide
CID 110759504

Frequently Asked Questions

What is the IUPAC name of (1S)-1-methyl-N-pyrimidin-2-yl-2,3-dihydro-1H-indene-5-sulfonamide?
The IUPAC name of (1S)-1-methyl-N-pyrimidin-2-yl-2,3-dihydro-1H-indene-5-sulfonamide (CID 142424100) is (1S)-1-methyl-N-pyrimidin-2-yl-2,3-dihydro-1H-indene-5-sulfonamide.
What is the SMILES notation for (1S)-1-methyl-N-pyrimidin-2-yl-2,3-dihydro-1H-indene-5-sulfonamide?
The canonical SMILES for (1S)-1-methyl-N-pyrimidin-2-yl-2,3-dihydro-1H-indene-5-sulfonamide is C[C@H]1CCc2cc(S(=O)(=O)Nc3ncccn3)ccc21.
What is the InChIKey of (1S)-1-methyl-N-pyrimidin-2-yl-2,3-dihydro-1H-indene-5-sulfonamide?
The InChIKey is OSMPUYWCRSHYME-JTQLQIEISA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-10-3-4-11-9-12(5-6-13(10)11)20(18,19)17-14-15-7-2-8-16-14/h2,5-10H,3-4H2,1H3,(H,15,16,17)/t10-/m0/s1.
What are the key properties of (1S)-1-methyl-N-pyrimidin-2-yl-2,3-dihydro-1H-indene-5-sulfonamide?
(1S)-1-methyl-N-pyrimidin-2-yl-2,3-dihydro-1H-indene-5-sulfonamide has a molecular weight of 289.36 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-methyl-N-pyrimidin-2-yl-2,3-dihydro-1H-indene-5-sulfonamide is sourced from PubChem (CID 142424100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).