N-[(4S)-3-formyl-2-phenyl-4H-chromen-4-yl]-4-methylbenzenesulfonamide

C23H19NO4S — CID 102040404

IUPACN-[(4S)-3-formyl-2-phenyl-4H-chromen-4-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H]2C(C=O)=C(c3ccccc3)Oc3ccccc32)cc1
InChIInChI=1S/C23H19NO4S/c1-16-11-13-18(14-12-16)29(26,27)24-22-19-9-5-6-10-21(19)28-23(20(22)15-25)17-7-3-2-4-8-17/h2-15,22,24H,1H3/t22-/m0/s1
InChIKeyILZSMMXDTQMVCV-QFIPXVFZSA-N
MW405.48 g/mol
LogP4.02
Rot. Bonds5

About N-[(4S)-3-formyl-2-phenyl-4H-chromen-4-yl]-4-methylbenzenesulfonamide

N-[(4S)-3-formyl-2-phenyl-4H-chromen-4-yl]-4-methylbenzenesulfonamide (PubChem CID 102040404) has the molecular formula C23H19NO4S and a molecular weight of 405.48 g/mol. Its IUPAC name is N-[(4S)-3-formyl-2-phenyl-4H-chromen-4-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(4S)-3-formyl-2-phenyl-4H-chromen-4-yl]-4-methylbenzenesulfonamide
PubChem CID102040404
Molecular FormulaC23H19NO4S
Molecular Weight405.48 g/mol
Exact Mass405.10
IUPAC NameN-[(4S)-3-formyl-2-phenyl-4H-chromen-4-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H]2C(C=O)=C(c3ccccc3)Oc3ccccc32)cc1
InChIInChI=1S/C23H19NO4S/c1-16-11-13-18(14-12-16)29(26,27)24-22-19-9-5-6-10-21(19)28-23(20(22)15-25)17-7-3-2-4-8-17/h2-15,22,24H,1H3/t22-/m0/s1
InChIKeyILZSMMXDTQMVCV-QFIPXVFZSA-N
XLogP4.02
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxy-9H-xanthen-9-yl)-4-methylbenzenesulfonamide
CID 102105075
N-(7H-benzo[c]xanthen-7-yl)-4-methylbenzenesulfonamide
CID 102105080
4-methyl-N-(2-phenyl-1H-inden-1-yl)benzenesulfonamide
CID 102141019
methyl 4-[(4-methylphenyl)sulfonylamino]-2-(trifluoromethyl)-4H-chromene-3-carboxylate
CID 102299766
methyl 2-(1,1,2,2,3,3,3-heptafluoropropyl)-4-[(4-methylphenyl)sulfonylamino]-4H-chromene-3-carboxylate
CID 102299763
4-methyl-N-[(1R)-2-methyl-1H-inden-1-yl]benzenesulfonamide
CID 135033857
(4S)-2-(4-ethoxyphenyl)-4-(4-methylphenyl)-4H-chromene-3-carbaldehyde
CID 1362893
1-[(4R)-4-(4-methylphenyl)-2-phenyl-4H-chromen-3-yl]-N-phenylmethanimine
CID 40544814
N-(9H-xanthen-9-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 4786910
N-[(1S,2S)-2-anilino-1,2-dihydronaphthalen-1-yl]-4-methylbenzenesulfonamide
CID 134954277
N-[(1R,2R)-1-chloro-2,3-dihydro-1H-inden-2-yl]-4-methylbenzenesulfonamide
CID 11558812
(E)-3-[4-(cyclopropylsulfamoyl)phenyl]-N-(9H-xanthen-9-yl)prop-2-enamide
CID 56547389

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-3-formyl-2-phenyl-4H-chromen-4-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(4S)-3-formyl-2-phenyl-4H-chromen-4-yl]-4-methylbenzenesulfonamide (CID 102040404) is N-[(4S)-3-formyl-2-phenyl-4H-chromen-4-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(4S)-3-formyl-2-phenyl-4H-chromen-4-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(4S)-3-formyl-2-phenyl-4H-chromen-4-yl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N[C@@H]2C(C=O)=C(c3ccccc3)Oc3ccccc32)cc1.
What is the InChIKey of N-[(4S)-3-formyl-2-phenyl-4H-chromen-4-yl]-4-methylbenzenesulfonamide?
The InChIKey is ILZSMMXDTQMVCV-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H19NO4S/c1-16-11-13-18(14-12-16)29(26,27)24-22-19-9-5-6-10-21(19)28-23(20(22)15-25)17-7-3-2-4-8-17/h2-15,22,24H,1H3/t22-/m0/s1.
What are the key properties of N-[(4S)-3-formyl-2-phenyl-4H-chromen-4-yl]-4-methylbenzenesulfonamide?
N-[(4S)-3-formyl-2-phenyl-4H-chromen-4-yl]-4-methylbenzenesulfonamide has a molecular weight of 405.48 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-3-formyl-2-phenyl-4H-chromen-4-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 102040404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).