N-(2-chloro-4-pyridinyl)-2,3-dihydro-1H-indene-5-sulfonamide

C14H13ClN2O2S — CID 103944070

IUPACN-(2-chloro-4-pyridinyl)-2,3-dihydro-1H-indene-5-sulfonamide
SMILESO=S(=O)(Nc1ccnc(Cl)c1)c1ccc2c(c1)CCC2
InChIInChI=1S/C14H13ClN2O2S/c15-14-9-12(6-7-16-14)17-20(18,19)13-5-4-10-2-1-3-11(10)8-13/h4-9H,1-3H2,(H,16,17)
InChIKeyPKNRZHQLZPYWBA-UHFFFAOYSA-N
MW308.79 g/mol
LogP3.02
Rot. Bonds3

About N-(2-chloro-4-pyridinyl)-2,3-dihydro-1H-indene-5-sulfonamide

N-(2-chloro-4-pyridinyl)-2,3-dihydro-1H-indene-5-sulfonamide (PubChem CID 103944070) has the molecular formula C14H13ClN2O2S and a molecular weight of 308.79 g/mol. Its IUPAC name is N-(2-chloro-4-pyridinyl)-2,3-dihydro-1H-indene-5-sulfonamide.

Molecular Properties

Compound NameN-(2-chloro-4-pyridinyl)-2,3-dihydro-1H-indene-5-sulfonamide
PubChem CID103944070
Molecular FormulaC14H13ClN2O2S
Molecular Weight308.79 g/mol
Exact Mass308.04
IUPAC NameN-(2-chloro-4-pyridinyl)-2,3-dihydro-1H-indene-5-sulfonamide
SMILESO=S(=O)(Nc1ccnc(Cl)c1)c1ccc2c(c1)CCC2
InChIInChI=1S/C14H13ClN2O2S/c15-14-9-12(6-7-16-14)17-20(18,19)13-5-4-10-2-1-3-11(10)8-13/h4-9H,1-3H2,(H,16,17)
InChIKeyPKNRZHQLZPYWBA-UHFFFAOYSA-N
XLogP3.02
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.79
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloropyrimidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 116798867
N-pyrimidin-5-yl-2,3-dihydro-1H-indene-5-sulfonamide
CID 167882461
N-(2-chloro-4-pyridinyl)-4-(trifluoromethyl)benzenesulfonamide
CID 103944025
3-chloro-N-(2,3-dihydro-1H-inden-5-yl)-4-methylbenzenesulfonamide
CID 5019779
N-(3-chloro-5-fluorophenyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 166375642
N-(2-chloro-3-pyridinyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 26969819
N-(2-chloro-4-pyridinyl)-6-cyanopyridine-3-sulfonamide
CID 113356248
N-(1,3-benzodioxol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 4827704
N-(2-chloro-4-iodophenyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 107606873
N-(3-fluoro-2-pyridinyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 84598051
N-(3-fluoro-4-hydroxyphenyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 64780149
N-(1-methylbenzimidazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110728587

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-pyridinyl)-2,3-dihydro-1H-indene-5-sulfonamide?
The IUPAC name of N-(2-chloro-4-pyridinyl)-2,3-dihydro-1H-indene-5-sulfonamide (CID 103944070) is N-(2-chloro-4-pyridinyl)-2,3-dihydro-1H-indene-5-sulfonamide.
What is the SMILES notation for N-(2-chloro-4-pyridinyl)-2,3-dihydro-1H-indene-5-sulfonamide?
The canonical SMILES for N-(2-chloro-4-pyridinyl)-2,3-dihydro-1H-indene-5-sulfonamide is O=S(=O)(Nc1ccnc(Cl)c1)c1ccc2c(c1)CCC2.
What is the InChIKey of N-(2-chloro-4-pyridinyl)-2,3-dihydro-1H-indene-5-sulfonamide?
The InChIKey is PKNRZHQLZPYWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2S/c15-14-9-12(6-7-16-14)17-20(18,19)13-5-4-10-2-1-3-11(10)8-13/h4-9H,1-3H2,(H,16,17).
What are the key properties of N-(2-chloro-4-pyridinyl)-2,3-dihydro-1H-indene-5-sulfonamide?
N-(2-chloro-4-pyridinyl)-2,3-dihydro-1H-indene-5-sulfonamide has a molecular weight of 308.79 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-pyridinyl)-2,3-dihydro-1H-indene-5-sulfonamide is sourced from PubChem (CID 103944070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).