N-(7-methoxy-2H-chromen-4-yl)-4-methyl-N-phenylbenzenesulfonamide

C23H21NO4S — CID 142711780

IUPACN-(7-methoxy-2H-chromen-4-yl)-4-methyl-N-phenylbenzenesulfonamide
SMILESCOc1ccc2c(c1)OCC=C2N(c1ccccc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C23H21NO4S/c1-17-8-11-20(12-9-17)29(25,26)24(18-6-4-3-5-7-18)22-14-15-28-23-16-19(27-2)10-13-21(22)23/h3-14,16H,15H2,1-2H3
InChIKeyHCNCEWIMSKICQX-UHFFFAOYSA-N
MW407.49 g/mol
LogP4.63
Rot. Bonds5

About N-(7-methoxy-2H-chromen-4-yl)-4-methyl-N-phenylbenzenesulfonamide

N-(7-methoxy-2H-chromen-4-yl)-4-methyl-N-phenylbenzenesulfonamide (PubChem CID 142711780) has the molecular formula C23H21NO4S and a molecular weight of 407.49 g/mol. Its IUPAC name is N-(7-methoxy-2H-chromen-4-yl)-4-methyl-N-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-(7-methoxy-2H-chromen-4-yl)-4-methyl-N-phenylbenzenesulfonamide
PubChem CID142711780
Molecular FormulaC23H21NO4S
Molecular Weight407.49 g/mol
Exact Mass407.12
IUPAC NameN-(7-methoxy-2H-chromen-4-yl)-4-methyl-N-phenylbenzenesulfonamide
SMILESCOc1ccc2c(c1)OCC=C2N(c1ccccc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C23H21NO4S/c1-17-8-11-20(12-9-17)29(25,26)24(18-6-4-3-5-7-18)22-14-15-28-23-16-19(27-2)10-13-21(22)23/h3-14,16H,15H2,1-2H3
InChIKeyHCNCEWIMSKICQX-UHFFFAOYSA-N
XLogP4.63
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-methoxyphenyl)ethyl]-4-methyl-N-phenylbenzenesulfonamide
CID 42841654
4-methoxy-N-(3-methoxyphenyl)-N-[(1S)-1-(4-methylphenyl)ethyl]benzenesulfonamide
CID 93179170
(7-methoxy-2H-chromen-4-yl) trifluoromethanesulfonate
CID 155625221
4-methyl-N-[1-(4-methylphenyl)sulfonyl-8-propan-2-yl-2H-quinolin-4-yl]-N-phenylbenzenesulfonamide
CID 71605108
N-(5-methoxy-2-phenylphenyl)-4-methylbenzenesulfonamide
CID 169370137
N-(4-methoxyphenyl)sulfonyl-2-methyl-N-phenyl-9H-fluorene-9-carboxamide
CID 102366727
N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-4-(4-methoxyphenyl)-N-phenylbenzenesulfonamide
CID 141224668
N-(3-methoxyphenyl)-4-methyl-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 46021631
N-(3-methoxy-9H-xanthen-9-yl)-4-methylbenzenesulfonamide
CID 102105075
N-[4-[4-(N-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]anilino)phenyl]phenyl]-4-methyl-N-phenylaniline
CID 23397817
N-(6-methoxy-3,3-dimethyl-4-oxo-1,2-dihydronaphthalen-2-yl)-N,4-dimethylbenzenesulfonamide
CID 54095520
N-(4-cyanophenyl)-4-methyl-N-phenylbenzenesulfonamide
CID 22292988

Frequently Asked Questions

What is the IUPAC name of N-(7-methoxy-2H-chromen-4-yl)-4-methyl-N-phenylbenzenesulfonamide?
The IUPAC name of N-(7-methoxy-2H-chromen-4-yl)-4-methyl-N-phenylbenzenesulfonamide (CID 142711780) is N-(7-methoxy-2H-chromen-4-yl)-4-methyl-N-phenylbenzenesulfonamide.
What is the SMILES notation for N-(7-methoxy-2H-chromen-4-yl)-4-methyl-N-phenylbenzenesulfonamide?
The canonical SMILES for N-(7-methoxy-2H-chromen-4-yl)-4-methyl-N-phenylbenzenesulfonamide is COc1ccc2c(c1)OCC=C2N(c1ccccc1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(7-methoxy-2H-chromen-4-yl)-4-methyl-N-phenylbenzenesulfonamide?
The InChIKey is HCNCEWIMSKICQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO4S/c1-17-8-11-20(12-9-17)29(25,26)24(18-6-4-3-5-7-18)22-14-15-28-23-16-19(27-2)10-13-21(22)23/h3-14,16H,15H2,1-2H3.
What are the key properties of N-(7-methoxy-2H-chromen-4-yl)-4-methyl-N-phenylbenzenesulfonamide?
N-(7-methoxy-2H-chromen-4-yl)-4-methyl-N-phenylbenzenesulfonamide has a molecular weight of 407.49 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methoxy-2H-chromen-4-yl)-4-methyl-N-phenylbenzenesulfonamide is sourced from PubChem (CID 142711780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).