5-chloro-2-methoxy-N-(6-oxo-5H-phenanthridin-2-yl)benzenesulfonamide

C20H15ClN2O4S — CID 155533716

IUPAC5-chloro-2-methoxy-N-(6-oxo-5H-phenanthridin-2-yl)benzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2[nH]c(=O)c3ccccc3c2c1
InChIInChI=1S/C20H15ClN2O4S/c1-27-18-9-6-12(21)10-19(18)28(25,26)23-13-7-8-17-16(11-13)14-4-2-3-5-15(14)20(24)22-17/h2-11,23H,1H3,(H,22,24)
InChIKeyUVOKLEHSNNULRO-UHFFFAOYSA-N
MW414.87 g/mol
LogP4.14
Rot. Bonds4

About 5-chloro-2-methoxy-N-(6-oxo-5H-phenanthridin-2-yl)benzenesulfonamide

5-chloro-2-methoxy-N-(6-oxo-5H-phenanthridin-2-yl)benzenesulfonamide (PubChem CID 155533716) has the molecular formula C20H15ClN2O4S and a molecular weight of 414.87 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-(6-oxo-5H-phenanthridin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-(6-oxo-5H-phenanthridin-2-yl)benzenesulfonamide
PubChem CID155533716
Molecular FormulaC20H15ClN2O4S
Molecular Weight414.87 g/mol
Exact Mass414.04
IUPAC Name5-chloro-2-methoxy-N-(6-oxo-5H-phenanthridin-2-yl)benzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2[nH]c(=O)c3ccccc3c2c1
InChIInChI=1S/C20H15ClN2O4S/c1-27-18-9-6-12(21)10-19(18)28(25,26)23-13-7-8-17-16(11-13)14-4-2-3-5-15(14)20(24)22-17/h2-11,23H,1H3,(H,22,24)
InChIKeyUVOKLEHSNNULRO-UHFFFAOYSA-N
XLogP4.14
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.87
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-2-methoxybenzenesulfonamide
CID 127031094
2-methoxy-N-(6-oxo-5H-phenanthridin-2-yl)benzenesulfonamide
CID 155569554
4-chloro-2-methoxy-N-(1-methyl-2-oxobenzo[cd]indol-6-yl)benzenesulfonamide
CID 155530217
4-methoxy-N-(6-oxo-5H-phenanthridin-2-yl)benzenesulfonamide
CID 155560288
4-{[1-(5-Chloro-2-methoxy-benzenesulfonyl)-1,2,3,4-tetrahydro-quinoline-7-carbonyl]-amino}-2-fluoro-benzoic acid
CID 16050715
4-[[1-(5-chloro-2-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline-7-carbonyl]amino]benzoic acid
CID 16050810
4-[[1-(5-Chloro-2-methoxyphenyl)sulfonyl-2,4-dihydro-3,1-benzoxazine-7-carbonyl]amino]benzoic acid
CID 24763463
{4-[1-(5-Chloro-2-methoxy-benzenesulfonyl)-1,2,3,4-tetrahydro-quinolin-7-ylcarbamoyl]-phenyl}-acetic acid
CID 24961622
2-[4-[[1-(5-Chloro-2-methoxyphenyl)sulfonyl-2,4-dihydro-3,1-benzoxazine-7-carbonyl]amino]phenyl]acetic acid
CID 50991077
3-[2-[(5-Chloro-2-methoxyphenyl)sulfonylamino]-4-(phenylcarbamoyl)phenyl]propanoic acid
CID 118738188
(E)-3-[2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-4-(phenylcarbamoyl)phenyl]prop-2-enoic acid
CID 118738201
1-(5-chloro-2-methoxyphenyl)sulfonyl-7-(phenylcarbamoyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 118738221

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-(6-oxo-5H-phenanthridin-2-yl)benzenesulfonamide?
The IUPAC name of 5-chloro-2-methoxy-N-(6-oxo-5H-phenanthridin-2-yl)benzenesulfonamide (CID 155533716) is 5-chloro-2-methoxy-N-(6-oxo-5H-phenanthridin-2-yl)benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-(6-oxo-5H-phenanthridin-2-yl)benzenesulfonamide?
The canonical SMILES for 5-chloro-2-methoxy-N-(6-oxo-5H-phenanthridin-2-yl)benzenesulfonamide is COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2[nH]c(=O)c3ccccc3c2c1.
What is the InChIKey of 5-chloro-2-methoxy-N-(6-oxo-5H-phenanthridin-2-yl)benzenesulfonamide?
The InChIKey is UVOKLEHSNNULRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2O4S/c1-27-18-9-6-12(21)10-19(18)28(25,26)23-13-7-8-17-16(11-13)14-4-2-3-5-15(14)20(24)22-17/h2-11,23H,1H3,(H,22,24).
What are the key properties of 5-chloro-2-methoxy-N-(6-oxo-5H-phenanthridin-2-yl)benzenesulfonamide?
5-chloro-2-methoxy-N-(6-oxo-5H-phenanthridin-2-yl)benzenesulfonamide has a molecular weight of 414.87 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-(6-oxo-5H-phenanthridin-2-yl)benzenesulfonamide is sourced from PubChem (CID 155533716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).