N-pyrimidin-5-yl-2,3-dihydro-1H-isoindole-5-sulfonamide

C12H12N4O2S — CID 107589026

IUPACN-pyrimidin-5-yl-2,3-dihydro-1H-isoindole-5-sulfonamide
SMILESO=S(=O)(Nc1cncnc1)c1ccc2c(c1)CNC2
InChIInChI=1S/C12H12N4O2S/c17-19(18,16-11-6-14-8-15-7-11)12-2-1-9-4-13-5-10(9)3-12/h1-3,6-8,13,16H,4-5H2
InChIKeyHBYWYMXBMKPGKZ-UHFFFAOYSA-N
MW276.32 g/mol
LogP0.88
Rot. Bonds3

About N-pyrimidin-5-yl-2,3-dihydro-1H-isoindole-5-sulfonamide

N-pyrimidin-5-yl-2,3-dihydro-1H-isoindole-5-sulfonamide (PubChem CID 107589026) has the molecular formula C12H12N4O2S and a molecular weight of 276.32 g/mol. Its IUPAC name is N-pyrimidin-5-yl-2,3-dihydro-1H-isoindole-5-sulfonamide.

Molecular Properties

Compound NameN-pyrimidin-5-yl-2,3-dihydro-1H-isoindole-5-sulfonamide
PubChem CID107589026
Molecular FormulaC12H12N4O2S
Molecular Weight276.32 g/mol
Exact Mass276.07
IUPAC NameN-pyrimidin-5-yl-2,3-dihydro-1H-isoindole-5-sulfonamide
SMILESO=S(=O)(Nc1cncnc1)c1ccc2c(c1)CNC2
InChIInChI=1S/C12H12N4O2S/c17-19(18,16-11-6-14-8-15-7-11)12-2-1-9-4-13-5-10(9)3-12/h1-3,6-8,13,16H,4-5H2
InChIKeyHBYWYMXBMKPGKZ-UHFFFAOYSA-N
XLogP0.88
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-pyrimidin-5-yl-2,3-dihydro-1H-indene-5-sulfonamide
CID 167882461
N-(4-methyl-3-pyridinyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422143
N-(4-bromo-3-methylphenyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421746
N-(2,3-dihydro-1H-isoindol-5-yl)-4-methylbenzenesulfonamide
CID 169371529
3-amino-4-methyl-N-pyrimidin-5-ylbenzenesulfonamide
CID 107587481
N-(5-bromo-3-methyl-2-pyridinyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422342
N-(4-butylphenyl)-2,3-dihydro-1H-isoindole-5-sulfonamide;hydrochloride
CID 10126239
N-(3-methyl-1,2-oxazol-5-yl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421727
N-(3,4-dichlorophenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride
CID 12606927
N-(pyridin-4-ylmethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421821
N-(4-bromophenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
CID 12606928
1-acetyl-N-pyrimidin-5-yl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 154861806

Frequently Asked Questions

What is the IUPAC name of N-pyrimidin-5-yl-2,3-dihydro-1H-isoindole-5-sulfonamide?
The IUPAC name of N-pyrimidin-5-yl-2,3-dihydro-1H-isoindole-5-sulfonamide (CID 107589026) is N-pyrimidin-5-yl-2,3-dihydro-1H-isoindole-5-sulfonamide.
What is the SMILES notation for N-pyrimidin-5-yl-2,3-dihydro-1H-isoindole-5-sulfonamide?
The canonical SMILES for N-pyrimidin-5-yl-2,3-dihydro-1H-isoindole-5-sulfonamide is O=S(=O)(Nc1cncnc1)c1ccc2c(c1)CNC2.
What is the InChIKey of N-pyrimidin-5-yl-2,3-dihydro-1H-isoindole-5-sulfonamide?
The InChIKey is HBYWYMXBMKPGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2S/c17-19(18,16-11-6-14-8-15-7-11)12-2-1-9-4-13-5-10(9)3-12/h1-3,6-8,13,16H,4-5H2.
What are the key properties of N-pyrimidin-5-yl-2,3-dihydro-1H-isoindole-5-sulfonamide?
N-pyrimidin-5-yl-2,3-dihydro-1H-isoindole-5-sulfonamide has a molecular weight of 276.32 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrimidin-5-yl-2,3-dihydro-1H-isoindole-5-sulfonamide is sourced from PubChem (CID 107589026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).