4-[3-(4-methoxy-3-propylphenyl)-4H-chromen-2-yl]benzenesulfonamide

C25H25NO4S — CID 142639580

IUPAC4-[3-(4-methoxy-3-propylphenyl)-4H-chromen-2-yl]benzenesulfonamide
SMILESCCCc1cc(C2=C(c3ccc(S(N)(=O)=O)cc3)Oc3ccccc3C2)ccc1OC
InChIInChI=1S/C25H25NO4S/c1-3-6-19-15-18(11-14-23(19)29-2)22-16-20-7-4-5-8-24(20)30-25(22)17-9-12-21(13-10-17)31(26,27)28/h4-5,7-15H,3,6,16H2,1-2H3,(H2,26,27,28)
InChIKeyYZEIVBLEOWAXDP-UHFFFAOYSA-N
MW435.55 g/mol
LogP4.80
Rot. Bonds6

About 4-[3-(4-methoxy-3-propylphenyl)-4H-chromen-2-yl]benzenesulfonamide

4-[3-(4-methoxy-3-propylphenyl)-4H-chromen-2-yl]benzenesulfonamide (PubChem CID 142639580) has the molecular formula C25H25NO4S and a molecular weight of 435.55 g/mol. Its IUPAC name is 4-[3-(4-methoxy-3-propylphenyl)-4H-chromen-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(4-methoxy-3-propylphenyl)-4H-chromen-2-yl]benzenesulfonamide
PubChem CID142639580
Molecular FormulaC25H25NO4S
Molecular Weight435.55 g/mol
Exact Mass435.15
IUPAC Name4-[3-(4-methoxy-3-propylphenyl)-4H-chromen-2-yl]benzenesulfonamide
SMILESCCCc1cc(C2=C(c3ccc(S(N)(=O)=O)cc3)Oc3ccccc3C2)ccc1OC
InChIInChI=1S/C25H25NO4S/c1-3-6-19-15-18(11-14-23(19)29-2)22-16-20-7-4-5-8-24(20)30-25(22)17-9-12-21(13-10-17)31(26,27)28/h4-5,7-15H,3,6,16H2,1-2H3,(H2,26,27,28)
InChIKeyYZEIVBLEOWAXDP-UHFFFAOYSA-N
XLogP4.80
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(3,4-dihydro-2H-thiochromen-6-yl)-4H-chromen-2-yl]benzenesulfonamide
CID 142639383
4-(3-pyridin-3-yl-4H-chromen-2-yl)benzenesulfonamide
CID 152578975
5-[2-(4-methylsulfonylphenyl)-4H-chromen-3-yl]-2-(trifluoromethyl)pyridine
CID 70197413
4-methoxy-3-(3-oxo-3-piperidin-1-ylpropyl)benzenesulfonamide
CID 142657095
4-(3-bromo-4-methoxyphenyl)benzenesulfonamide
CID 57313510
3-(2-aminopropyl)-4-methoxybenzenesulfonamide
CID 67643235
4-[2-(3-fluoro-4-methoxyphenyl)phenyl]benzenesulfonamide
CID 10808251
(4-methoxy-3-propylphenyl)-(4-phenylphenyl)methanone
CID 166044935
1-methoxy-2-(4-methoxy-3-propylphenyl)-4-propylbenzene
CID 45267390
N-(benzenesulfonyl)-N-[(2-methoxy-5-phenylphenyl)methyl]benzenesulfonamide
CID 135064174
4-[3-(2-propylphenoxy)propoxy]benzenesulfonamide
CID 69222529
4-methoxy-3-(3-propyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
CID 50747503

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methoxy-3-propylphenyl)-4H-chromen-2-yl]benzenesulfonamide?
The IUPAC name of 4-[3-(4-methoxy-3-propylphenyl)-4H-chromen-2-yl]benzenesulfonamide (CID 142639580) is 4-[3-(4-methoxy-3-propylphenyl)-4H-chromen-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(4-methoxy-3-propylphenyl)-4H-chromen-2-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-(4-methoxy-3-propylphenyl)-4H-chromen-2-yl]benzenesulfonamide is CCCc1cc(C2=C(c3ccc(S(N)(=O)=O)cc3)Oc3ccccc3C2)ccc1OC.
What is the InChIKey of 4-[3-(4-methoxy-3-propylphenyl)-4H-chromen-2-yl]benzenesulfonamide?
The InChIKey is YZEIVBLEOWAXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO4S/c1-3-6-19-15-18(11-14-23(19)29-2)22-16-20-7-4-5-8-24(20)30-25(22)17-9-12-21(13-10-17)31(26,27)28/h4-5,7-15H,3,6,16H2,1-2H3,(H2,26,27,28).
What are the key properties of 4-[3-(4-methoxy-3-propylphenyl)-4H-chromen-2-yl]benzenesulfonamide?
4-[3-(4-methoxy-3-propylphenyl)-4H-chromen-2-yl]benzenesulfonamide has a molecular weight of 435.55 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methoxy-3-propylphenyl)-4H-chromen-2-yl]benzenesulfonamide is sourced from PubChem (CID 142639580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).