3-(benzenesulfonyl)-N-phenylchromen-2-imine

C21H15NO3S — CID 6622390

IUPAC3-(benzenesulfonyl)-N-phenylchromen-2-imine
SMILESO=S(=O)(c1ccccc1)c1cc2ccccc2o/c1=N\c1ccccc1
InChIInChI=1S/C21H15NO3S/c23-26(24,18-12-5-2-6-13-18)20-15-16-9-7-8-14-19(16)25-21(20)22-17-10-3-1-4-11-17/h1-15H/b22-21-
InChIKeyBMIAYDJVZWUXAQ-DQRAZIAOSA-N
MW361.42 g/mol
LogP4.50
Rot. Bonds3

About 3-(benzenesulfonyl)-N-phenylchromen-2-imine

3-(benzenesulfonyl)-N-phenylchromen-2-imine (PubChem CID 6622390) has the molecular formula C21H15NO3S and a molecular weight of 361.42 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-phenylchromen-2-imine.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-phenylchromen-2-imine
PubChem CID6622390
Molecular FormulaC21H15NO3S
Molecular Weight361.42 g/mol
Exact Mass361.08
IUPAC Name3-(benzenesulfonyl)-N-phenylchromen-2-imine
SMILESO=S(=O)(c1ccccc1)c1cc2ccccc2o/c1=N\c1ccccc1
InChIInChI=1S/C21H15NO3S/c23-26(24,18-12-5-2-6-13-18)20-15-16-9-7-8-14-19(16)25-21(20)22-17-10-3-1-4-11-17/h1-15H/b22-21-
InChIKeyBMIAYDJVZWUXAQ-DQRAZIAOSA-N
XLogP4.50
TPSA59.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(benzenesulfonyl)-N-(2-methylphenyl)chromen-2-imine
CID 46255920
N-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)sulfonylchromen-2-imine
CID 2134451
3-(benzenesulfonyl)-6-chloro-N-(3-chloro-4-methoxyphenyl)chromen-2-imine
CID 46255982
N,3-diphenylchromen-2-imine
CID 135029902
N-methyl-2-phenyliminochromene-3-carboxamide
CID 826595
3-(benzenesulfonyl)-N-(1,3-benzodioxol-5-yl)-8-methoxychromen-2-imine
CID 2134478
3-(3-methylphenyl)sulfonylchromen-2-one
CID 12701708
1,2-bis(benzenesulfonyl)benzene
CID 19980733
6-chloro-N-(3-chloro-4-methoxyphenyl)-3-(4-methylphenyl)sulfonylchromen-2-imine
CID 46255995
N-(3,4-dimethoxyphenyl)-8-methoxy-3-(4-methylphenyl)sulfonylchromen-2-imine
CID 2134853
3-(benzenesulfonyl)-6-nitrochromen-2-one
CID 2134713
3-pyrrolidin-1-ylsulfonylchromen-2-one
CID 22424872

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-phenylchromen-2-imine?
The IUPAC name of 3-(benzenesulfonyl)-N-phenylchromen-2-imine (CID 6622390) is 3-(benzenesulfonyl)-N-phenylchromen-2-imine.
What is the SMILES notation for 3-(benzenesulfonyl)-N-phenylchromen-2-imine?
The canonical SMILES for 3-(benzenesulfonyl)-N-phenylchromen-2-imine is O=S(=O)(c1ccccc1)c1cc2ccccc2o/c1=N\c1ccccc1.
What is the InChIKey of 3-(benzenesulfonyl)-N-phenylchromen-2-imine?
The InChIKey is BMIAYDJVZWUXAQ-DQRAZIAOSA-N. The full InChI is InChI=1S/C21H15NO3S/c23-26(24,18-12-5-2-6-13-18)20-15-16-9-7-8-14-19(16)25-21(20)22-17-10-3-1-4-11-17/h1-15H/b22-21-.
What are the key properties of 3-(benzenesulfonyl)-N-phenylchromen-2-imine?
3-(benzenesulfonyl)-N-phenylchromen-2-imine has a molecular weight of 361.42 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-phenylchromen-2-imine is sourced from PubChem (CID 6622390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).