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

C13H13N3O2S — CID 167882461

IUPACN-pyrimidin-5-yl-2,3-dihydro-1H-indene-5-sulfonamide
SMILESO=S(=O)(Nc1cncnc1)c1ccc2c(c1)CCC2
InChIInChI=1S/C13H13N3O2S/c17-19(18,16-12-7-14-9-15-8-12)13-5-4-10-2-1-3-11(10)6-13/h4-9,16H,1-3H2
InChIKeyBWVIBUXAQBAFGK-UHFFFAOYSA-N
MW275.33 g/mol
LogP1.77
Rot. Bonds3

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

N-pyrimidin-5-yl-2,3-dihydro-1H-indene-5-sulfonamide (PubChem CID 167882461) has the molecular formula C13H13N3O2S and a molecular weight of 275.33 g/mol. Its IUPAC name is N-pyrimidin-5-yl-2,3-dihydro-1H-indene-5-sulfonamide.

Molecular Properties

Compound NameN-pyrimidin-5-yl-2,3-dihydro-1H-indene-5-sulfonamide
PubChem CID167882461
Molecular FormulaC13H13N3O2S
Molecular Weight275.33 g/mol
Exact Mass275.07
IUPAC NameN-pyrimidin-5-yl-2,3-dihydro-1H-indene-5-sulfonamide
SMILESO=S(=O)(Nc1cncnc1)c1ccc2c(c1)CCC2
InChIInChI=1S/C13H13N3O2S/c17-19(18,16-12-7-14-9-15-8-12)13-5-4-10-2-1-3-11(10)6-13/h4-9,16H,1-3H2
InChIKeyBWVIBUXAQBAFGK-UHFFFAOYSA-N
XLogP1.77
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-pyrimidin-5-yl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107589026
1-acetyl-N-pyrimidin-5-yl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 154861806
N-[4-(1H-imidazol-5-yl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 84512971
N-(2-chloro-4-pyridinyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 103944070
[4-(2,3-dihydro-1H-inden-5-ylsulfonylamino)phenyl]urea
CID 33488490
N-(4-imidazol-1-ylphenyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 110867693
3-amino-4-methyl-N-pyrimidin-5-ylbenzenesulfonamide
CID 107587481
N-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 39854348
N-(3-fluoro-4-hydroxyphenyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 64780149
N-(1,3-benzodioxol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 4827704
N-(3-chloro-5-fluorophenyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 166375642
N-(6-imidazol-1-yl-3-pyridinyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 71801231

Frequently Asked Questions

What is the IUPAC name of N-pyrimidin-5-yl-2,3-dihydro-1H-indene-5-sulfonamide?
The IUPAC name of N-pyrimidin-5-yl-2,3-dihydro-1H-indene-5-sulfonamide (CID 167882461) is N-pyrimidin-5-yl-2,3-dihydro-1H-indene-5-sulfonamide.
What is the SMILES notation for N-pyrimidin-5-yl-2,3-dihydro-1H-indene-5-sulfonamide?
The canonical SMILES for N-pyrimidin-5-yl-2,3-dihydro-1H-indene-5-sulfonamide is O=S(=O)(Nc1cncnc1)c1ccc2c(c1)CCC2.
What is the InChIKey of N-pyrimidin-5-yl-2,3-dihydro-1H-indene-5-sulfonamide?
The InChIKey is BWVIBUXAQBAFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S/c17-19(18,16-12-7-14-9-15-8-12)13-5-4-10-2-1-3-11(10)6-13/h4-9,16H,1-3H2.
What are the key properties of N-pyrimidin-5-yl-2,3-dihydro-1H-indene-5-sulfonamide?
N-pyrimidin-5-yl-2,3-dihydro-1H-indene-5-sulfonamide has a molecular weight of 275.33 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrimidin-5-yl-2,3-dihydro-1H-indene-5-sulfonamide is sourced from PubChem (CID 167882461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).