N-(2-chloropyrimidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

C14H14ClN3O2S — CID 116798867

IUPACN-(2-chloropyrimidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESO=S(=O)(Nc1ccnc(Cl)n1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C14H14ClN3O2S/c15-14-16-8-7-13(17-14)18-21(19,20)12-6-5-10-3-1-2-4-11(10)9-12/h5-9H,1-4H2,(H,16,17,18)
InChIKeyQFXSDCGDFJHKJG-UHFFFAOYSA-N
MW323.81 g/mol
LogP2.81
Rot. Bonds3

About N-(2-chloropyrimidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

N-(2-chloropyrimidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 116798867) has the molecular formula C14H14ClN3O2S and a molecular weight of 323.81 g/mol. Its IUPAC name is N-(2-chloropyrimidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-chloropyrimidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID116798867
Molecular FormulaC14H14ClN3O2S
Molecular Weight323.81 g/mol
Exact Mass323.05
IUPAC NameN-(2-chloropyrimidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESO=S(=O)(Nc1ccnc(Cl)n1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C14H14ClN3O2S/c15-14-16-8-7-13(17-14)18-21(19,20)12-6-5-10-3-1-2-4-11(10)9-12/h5-9H,1-4H2,(H,16,17,18)
InChIKeyQFXSDCGDFJHKJG-UHFFFAOYSA-N
XLogP2.81
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.81
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(2-chloropyrimidin-4-yl)-3-methylbenzenesulfonamide
CID 116794691
2-chloro-5-[(2-chloropyrimidin-4-yl)sulfamoyl]benzoic acid
CID 116794803
N-(2-chloro-4-pyridinyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 103944070
3-chloro-N-(2-chloropyrimidin-4-yl)-4-methoxybenzenesulfonamide
CID 116798836
N-(2-chloro-3-pyridinyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 26969819
2-bromo-5-[(2-chloropyrimidin-4-yl)sulfamoyl]benzoic acid
CID 116794837
5-[(2-chloropyrimidin-4-yl)sulfamoyl]-2-methylbenzamide
CID 116798900
N-(1,2-oxazol-3-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 51698963
N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110281086
N-(6-pyrazol-1-ylpyrimidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 121135031
N-[6-(trifluoromethyl)pyrimidin-4-yl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 154765958
N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 110281087

Frequently Asked Questions

What is the IUPAC name of N-(2-chloropyrimidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of N-(2-chloropyrimidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 116798867) is N-(2-chloropyrimidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-(2-chloropyrimidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for N-(2-chloropyrimidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is O=S(=O)(Nc1ccnc(Cl)n1)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-(2-chloropyrimidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is QFXSDCGDFJHKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2S/c15-14-16-8-7-13(17-14)18-21(19,20)12-6-5-10-3-1-2-4-11(10)9-12/h5-9H,1-4H2,(H,16,17,18).
What are the key properties of N-(2-chloropyrimidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
N-(2-chloropyrimidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 323.81 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloropyrimidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 116798867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).