N-[2-chloro-5-(4-ethoxycinnolin-6-yl)-3-pyridinyl]benzenesulfonamide

C21H17ClN4O3S — CID 164614311

IUPACN-[2-chloro-5-(4-ethoxycinnolin-6-yl)-3-pyridinyl]benzenesulfonamide
SMILESCCOc1cnnc2ccc(-c3cnc(Cl)c(NS(=O)(=O)c4ccccc4)c3)cc12
InChIInChI=1S/C21H17ClN4O3S/c1-2-29-20-13-24-25-18-9-8-14(10-17(18)20)15-11-19(21(22)23-12-15)26-30(27,28)16-6-4-3-5-7-16/h3-13,26H,2H2,1H3
InChIKeyVCYZTIOXWVBBMW-UHFFFAOYSA-N
MW440.91 g/mol
LogP4.54
Rot. Bonds6

About N-[2-chloro-5-(4-ethoxycinnolin-6-yl)-3-pyridinyl]benzenesulfonamide

N-[2-chloro-5-(4-ethoxycinnolin-6-yl)-3-pyridinyl]benzenesulfonamide (PubChem CID 164614311) has the molecular formula C21H17ClN4O3S and a molecular weight of 440.91 g/mol. Its IUPAC name is N-[2-chloro-5-(4-ethoxycinnolin-6-yl)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-chloro-5-(4-ethoxycinnolin-6-yl)-3-pyridinyl]benzenesulfonamide
PubChem CID164614311
Molecular FormulaC21H17ClN4O3S
Molecular Weight440.91 g/mol
Exact Mass440.07
IUPAC NameN-[2-chloro-5-(4-ethoxycinnolin-6-yl)-3-pyridinyl]benzenesulfonamide
SMILESCCOc1cnnc2ccc(-c3cnc(Cl)c(NS(=O)(=O)c4ccccc4)c3)cc12
InChIInChI=1S/C21H17ClN4O3S/c1-2-29-20-13-24-25-18-9-8-14(10-17(18)20)15-11-19(21(22)23-12-15)26-30(27,28)16-6-4-3-5-7-16/h3-13,26H,2H2,1H3
InChIKeyVCYZTIOXWVBBMW-UHFFFAOYSA-N
XLogP4.54
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.91
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Omipalisib
CID 25167777
2,4-difluoro-N-[2-methoxy-5-(4-pyridin-4-ylcinnolin-6-yl)-3-pyridinyl]benzenesulfonamide
CID 122178112
2,4-difluoro-N-[2-methoxy-5-[4-[4-(pyrazol-1-ylmethyl)phenyl]quinolin-6-yl]-3-pyridinyl]benzenesulfonamide
CID 74538916
N-[5-(4-chloroquinolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 74539744
N-[5-(4-anilinocinnolin-6-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide
CID 156767707
N-[4-[[6-[5-(benzenesulfonamido)-6-methoxy-3-pyridinyl]cinnolin-4-yl]amino]phenyl]acetamide
CID 156767709
N-[2-chloro-5-[4-[(4-methoxyphenyl)methylamino]cinnolin-6-yl]-3-pyridinyl]benzenesulfonamide
CID 156767714
N-[2-methoxy-5-(4-morpholin-4-ylcinnolin-6-yl)-3-pyridinyl]benzenesulfonamide
CID 156767717
N-[5-[3-(benzylamino)-4-methoxyquinolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 137643778
N-[5-[3-(ethylamino)-4-methoxyquinolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 137661016
N-[2-chloro-5-(4-methoxycinnolin-6-yl)-3-pyridinyl]benzenesulfonamide
CID 164609149
N-[5-(4-chlorocinnolin-6-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide
CID 164609550

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(4-ethoxycinnolin-6-yl)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of N-[2-chloro-5-(4-ethoxycinnolin-6-yl)-3-pyridinyl]benzenesulfonamide (CID 164614311) is N-[2-chloro-5-(4-ethoxycinnolin-6-yl)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for N-[2-chloro-5-(4-ethoxycinnolin-6-yl)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for N-[2-chloro-5-(4-ethoxycinnolin-6-yl)-3-pyridinyl]benzenesulfonamide is CCOc1cnnc2ccc(-c3cnc(Cl)c(NS(=O)(=O)c4ccccc4)c3)cc12.
What is the InChIKey of N-[2-chloro-5-(4-ethoxycinnolin-6-yl)-3-pyridinyl]benzenesulfonamide?
The InChIKey is VCYZTIOXWVBBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O3S/c1-2-29-20-13-24-25-18-9-8-14(10-17(18)20)15-11-19(21(22)23-12-15)26-30(27,28)16-6-4-3-5-7-16/h3-13,26H,2H2,1H3.
What are the key properties of N-[2-chloro-5-(4-ethoxycinnolin-6-yl)-3-pyridinyl]benzenesulfonamide?
N-[2-chloro-5-(4-ethoxycinnolin-6-yl)-3-pyridinyl]benzenesulfonamide has a molecular weight of 440.91 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(4-ethoxycinnolin-6-yl)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 164614311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).