1-(4-chlorophenyl)-N-[3-(2,4-dimethoxy-5-propan-2-ylphenyl)phenyl]methanesulfonamide

C24H26ClNO4S — CID 71012362

IUPAC1-(4-chlorophenyl)-N-[3-(2,4-dimethoxy-5-propan-2-ylphenyl)phenyl]methanesulfonamide
SMILESCOc1cc(OC)c(C(C)C)cc1-c1cccc(NS(=O)(=O)Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C24H26ClNO4S/c1-16(2)21-13-22(24(30-4)14-23(21)29-3)18-6-5-7-20(12-18)26-31(27,28)15-17-8-10-19(25)11-9-17/h5-14,16,26H,15H2,1-4H3
InChIKeyDTMHVCHGQVHUIZ-UHFFFAOYSA-N
MW460.00 g/mol
LogP6.09
Rot. Bonds8

About 1-(4-chlorophenyl)-N-[3-(2,4-dimethoxy-5-propan-2-ylphenyl)phenyl]methanesulfonamide

1-(4-chlorophenyl)-N-[3-(2,4-dimethoxy-5-propan-2-ylphenyl)phenyl]methanesulfonamide (PubChem CID 71012362) has the molecular formula C24H26ClNO4S and a molecular weight of 460.00 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[3-(2,4-dimethoxy-5-propan-2-ylphenyl)phenyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[3-(2,4-dimethoxy-5-propan-2-ylphenyl)phenyl]methanesulfonamide
PubChem CID71012362
Molecular FormulaC24H26ClNO4S
Molecular Weight460.00 g/mol
Exact Mass459.13
IUPAC Name1-(4-chlorophenyl)-N-[3-(2,4-dimethoxy-5-propan-2-ylphenyl)phenyl]methanesulfonamide
SMILESCOc1cc(OC)c(C(C)C)cc1-c1cccc(NS(=O)(=O)Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C24H26ClNO4S/c1-16(2)21-13-22(24(30-4)14-23(21)29-3)18-6-5-7-20(12-18)26-31(27,28)15-17-8-10-19(25)11-9-17/h5-14,16,26H,15H2,1-4H3
InChIKeyDTMHVCHGQVHUIZ-UHFFFAOYSA-N
XLogP6.09
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.00
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)phenyl]-1-phenylmethanesulfonamide
CID 71012469
1-(4-chlorophenyl)-N-(3-methylphenyl)methanesulfonamide
CID 18891258
1-(4-chlorophenyl)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]methanesulfonamide
CID 133186551
N-(3-chloro-4-methoxyphenyl)-1-phenylmethanesulfonamide
CID 6468600
1,5-dimethoxy-2-[3-[(3-methoxyphenyl)methoxy]phenyl]-4-propan-2-ylbenzene
CID 68971378
1-(4-chlorophenyl)-N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]methanesulfonamide
CID 122285001
(4-chlorophenyl)-[2-(2,4-dimethoxy-5-propan-2-ylphenyl)phenyl]methanesulfonamide
CID 90860345
methyl 4-[(4-chlorophenyl)sulfamoylmethyl]benzoate
CID 92683512
N-(4-methoxy-3-methylphenyl)-1-phenylmethanesulfonamide
CID 110776446
N-[3-(2-butan-2-yl-5-chlorophenyl)phenyl]methanesulfonamide
CID 126760459
(2-methoxyphenyl) 2-[(4-chlorophenyl)methylsulfonylamino]acetate
CID 110671021
N-(3-methoxy-4-phenylphenyl)ethanesulfonamide
CID 71225607

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[3-(2,4-dimethoxy-5-propan-2-ylphenyl)phenyl]methanesulfonamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[3-(2,4-dimethoxy-5-propan-2-ylphenyl)phenyl]methanesulfonamide (CID 71012362) is 1-(4-chlorophenyl)-N-[3-(2,4-dimethoxy-5-propan-2-ylphenyl)phenyl]methanesulfonamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[3-(2,4-dimethoxy-5-propan-2-ylphenyl)phenyl]methanesulfonamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[3-(2,4-dimethoxy-5-propan-2-ylphenyl)phenyl]methanesulfonamide is COc1cc(OC)c(C(C)C)cc1-c1cccc(NS(=O)(=O)Cc2ccc(Cl)cc2)c1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[3-(2,4-dimethoxy-5-propan-2-ylphenyl)phenyl]methanesulfonamide?
The InChIKey is DTMHVCHGQVHUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClNO4S/c1-16(2)21-13-22(24(30-4)14-23(21)29-3)18-6-5-7-20(12-18)26-31(27,28)15-17-8-10-19(25)11-9-17/h5-14,16,26H,15H2,1-4H3.
What are the key properties of 1-(4-chlorophenyl)-N-[3-(2,4-dimethoxy-5-propan-2-ylphenyl)phenyl]methanesulfonamide?
1-(4-chlorophenyl)-N-[3-(2,4-dimethoxy-5-propan-2-ylphenyl)phenyl]methanesulfonamide has a molecular weight of 460.00 g/mol, XLogP of 6.09, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[3-(2,4-dimethoxy-5-propan-2-ylphenyl)phenyl]methanesulfonamide is sourced from PubChem (CID 71012362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).