3,5-dichloro-N-isoquinolin-1-ylbenzenesulfonamide

C15H10Cl2N2O2S — CID 3792494

IUPAC3,5-dichloro-N-isoquinolin-1-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1nccc2ccccc12)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H10Cl2N2O2S/c16-11-7-12(17)9-13(8-11)22(20,21)19-15-14-4-2-1-3-10(14)5-6-18-15/h1-9H,(H,18,19)
InChIKeyGRABGUKJNKAIKD-UHFFFAOYSA-N
MW353.23 g/mol
LogP4.34
Rot. Bonds3

About 3,5-dichloro-N-isoquinolin-1-ylbenzenesulfonamide

3,5-dichloro-N-isoquinolin-1-ylbenzenesulfonamide (PubChem CID 3792494) has the molecular formula C15H10Cl2N2O2S and a molecular weight of 353.23 g/mol. Its IUPAC name is 3,5-dichloro-N-isoquinolin-1-ylbenzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-N-isoquinolin-1-ylbenzenesulfonamide
PubChem CID3792494
Molecular FormulaC15H10Cl2N2O2S
Molecular Weight353.23 g/mol
Exact Mass351.98
IUPAC Name3,5-dichloro-N-isoquinolin-1-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1nccc2ccccc12)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H10Cl2N2O2S/c16-11-7-12(17)9-13(8-11)22(20,21)19-15-14-4-2-1-3-10(14)5-6-18-15/h1-9H,(H,18,19)
InChIKeyGRABGUKJNKAIKD-UHFFFAOYSA-N
XLogP4.34
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.23
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-isoquinolin-1-yl-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 74228494
3,5-dichloro-N-(1H-indazol-3-yl)benzenesulfonamide
CID 62686764
3,5-dichloro-N-(3-methoxy-2-pyridinyl)benzenesulfonamide
CID 154807827
3-chloro-5-fluoro-N-naphthalen-1-ylbenzenesulfonamide
CID 59533991
N-benzyl-1-[(3,5-dichlorophenyl)sulfonylamino]naphthalene-2-carboxamide
CID 59534043
3,5-dichloro-N-(2-hydroxyphenyl)benzenesulfonamide
CID 4993615
3,5-dichloro-N-pyridin-3-ylbenzenesulfonamide
CID 3269893
isoquinoline-1-sulfonyl chloride;hydrochloride
CID 19796336
3,5-dichloro-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 3799880
3-chloro-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 25043050
3,5-dichloro-N-(5-hydroxynaphthalen-1-yl)benzenesulfonamide
CID 58496706
N-(3-chlorophenyl)isoquinolin-1-amine;2,2,2-trifluoroacetic acid
CID 56587846

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-isoquinolin-1-ylbenzenesulfonamide?
The IUPAC name of 3,5-dichloro-N-isoquinolin-1-ylbenzenesulfonamide (CID 3792494) is 3,5-dichloro-N-isoquinolin-1-ylbenzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-N-isoquinolin-1-ylbenzenesulfonamide?
The canonical SMILES for 3,5-dichloro-N-isoquinolin-1-ylbenzenesulfonamide is O=S(=O)(Nc1nccc2ccccc12)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-isoquinolin-1-ylbenzenesulfonamide?
The InChIKey is GRABGUKJNKAIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O2S/c16-11-7-12(17)9-13(8-11)22(20,21)19-15-14-4-2-1-3-10(14)5-6-18-15/h1-9H,(H,18,19).
What are the key properties of 3,5-dichloro-N-isoquinolin-1-ylbenzenesulfonamide?
3,5-dichloro-N-isoquinolin-1-ylbenzenesulfonamide has a molecular weight of 353.23 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-isoquinolin-1-ylbenzenesulfonamide is sourced from PubChem (CID 3792494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).