N-[4-(cyclohexylamino)-2-oxochromen-3-yl]-3-methoxybenzenesulfonamide

C22H24N2O5S — CID 50778823

IUPACN-[4-(cyclohexylamino)-2-oxochromen-3-yl]-3-methoxybenzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)Nc2c(NC3CCCCC3)c3ccccc3oc2=O)c1
InChIInChI=1S/C22H24N2O5S/c1-28-16-10-7-11-17(14-16)30(26,27)24-21-20(23-15-8-3-2-4-9-15)18-12-5-6-13-19(18)29-22(21)25/h5-7,10-15,23-24H,2-4,8-9H2,1H3
InChIKeyPOCAPYLUTGNODS-UHFFFAOYSA-N
MW428.51 g/mol
LogP4.35
Rot. Bonds6

About N-[4-(cyclohexylamino)-2-oxochromen-3-yl]-3-methoxybenzenesulfonamide

N-[4-(cyclohexylamino)-2-oxochromen-3-yl]-3-methoxybenzenesulfonamide (PubChem CID 50778823) has the molecular formula C22H24N2O5S and a molecular weight of 428.51 g/mol. Its IUPAC name is N-[4-(cyclohexylamino)-2-oxochromen-3-yl]-3-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(cyclohexylamino)-2-oxochromen-3-yl]-3-methoxybenzenesulfonamide
PubChem CID50778823
Molecular FormulaC22H24N2O5S
Molecular Weight428.51 g/mol
Exact Mass428.14
IUPAC NameN-[4-(cyclohexylamino)-2-oxochromen-3-yl]-3-methoxybenzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)Nc2c(NC3CCCCC3)c3ccccc3oc2=O)c1
InChIInChI=1S/C22H24N2O5S/c1-28-16-10-7-11-17(14-16)30(26,27)24-21-20(23-15-8-3-2-4-9-15)18-12-5-6-13-19(18)29-22(21)25/h5-7,10-15,23-24H,2-4,8-9H2,1H3
InChIKeyPOCAPYLUTGNODS-UHFFFAOYSA-N
XLogP4.35
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(cyclopentylamino)-2-oxochromen-3-yl]-3-methoxybenzenesulfonamide
CID 50778699
N-[4-(cyclohexylamino)-2-oxochromen-3-yl]benzenesulfonamide
CID 35397354
1-[4-(cyclohexylamino)-2-oxochromen-3-yl]-3-(2,5-dimethoxyphenyl)urea
CID 22433735
1-[4-(cyclohexylamino)-2-oxochromen-3-yl]-3-(2-methoxyphenyl)urea
CID 35396859
3-methoxy-N-[4-[(3-methoxyphenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide
CID 122194678
1-(3-acetylphenyl)-3-[4-(cyclohexylamino)-2-oxochromen-3-yl]urea
CID 35396881
N-[4-(cyclopentylamino)-2-oxochromen-3-yl]-2-(3-fluorophenyl)acetamide
CID 50744190
1-[4-(cyclopentylamino)-2-oxochromen-3-yl]-3-(3-fluorophenyl)urea
CID 50763443
N-(2-aminocycloheptyl)-3-methoxybenzenesulfonamide
CID 81259849
N-[(2R)-2-cyclohexyl-2-hydroxyethyl]-3-methoxybenzenesulfonamide
CID 95367533
N-(2-cyclohexyl-2-hydroxyethyl)-3-methoxybenzenesulfonamide
CID 56764321
1-[4-(cyclohexylamino)-2-oxochromen-3-yl]-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 94069805

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclohexylamino)-2-oxochromen-3-yl]-3-methoxybenzenesulfonamide?
The IUPAC name of N-[4-(cyclohexylamino)-2-oxochromen-3-yl]-3-methoxybenzenesulfonamide (CID 50778823) is N-[4-(cyclohexylamino)-2-oxochromen-3-yl]-3-methoxybenzenesulfonamide.
What is the SMILES notation for N-[4-(cyclohexylamino)-2-oxochromen-3-yl]-3-methoxybenzenesulfonamide?
The canonical SMILES for N-[4-(cyclohexylamino)-2-oxochromen-3-yl]-3-methoxybenzenesulfonamide is COc1cccc(S(=O)(=O)Nc2c(NC3CCCCC3)c3ccccc3oc2=O)c1.
What is the InChIKey of N-[4-(cyclohexylamino)-2-oxochromen-3-yl]-3-methoxybenzenesulfonamide?
The InChIKey is POCAPYLUTGNODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O5S/c1-28-16-10-7-11-17(14-16)30(26,27)24-21-20(23-15-8-3-2-4-9-15)18-12-5-6-13-19(18)29-22(21)25/h5-7,10-15,23-24H,2-4,8-9H2,1H3.
What are the key properties of N-[4-(cyclohexylamino)-2-oxochromen-3-yl]-3-methoxybenzenesulfonamide?
N-[4-(cyclohexylamino)-2-oxochromen-3-yl]-3-methoxybenzenesulfonamide has a molecular weight of 428.51 g/mol, XLogP of 4.35, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclohexylamino)-2-oxochromen-3-yl]-3-methoxybenzenesulfonamide is sourced from PubChem (CID 50778823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).