5-chloro-2-methoxy-N-[(3-methylphenyl)-phenylmethyl]benzenesulfonamide

C21H20ClNO3S — CID 133224794

IUPAC5-chloro-2-methoxy-N-[(3-methylphenyl)-phenylmethyl]benzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NC(c1ccccc1)c1cccc(C)c1
InChIInChI=1S/C21H20ClNO3S/c1-15-7-6-10-17(13-15)21(16-8-4-3-5-9-16)23-27(24,25)20-14-18(22)11-12-19(20)26-2/h3-14,21,23H,1-2H3
InChIKeyZTRYMKRCPVNODQ-UHFFFAOYSA-N
MW401.92 g/mol
LogP4.72
Rot. Bonds6

About 5-chloro-2-methoxy-N-[(3-methylphenyl)-phenylmethyl]benzenesulfonamide

5-chloro-2-methoxy-N-[(3-methylphenyl)-phenylmethyl]benzenesulfonamide (PubChem CID 133224794) has the molecular formula C21H20ClNO3S and a molecular weight of 401.92 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[(3-methylphenyl)-phenylmethyl]benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[(3-methylphenyl)-phenylmethyl]benzenesulfonamide
PubChem CID133224794
Molecular FormulaC21H20ClNO3S
Molecular Weight401.92 g/mol
Exact Mass401.09
IUPAC Name5-chloro-2-methoxy-N-[(3-methylphenyl)-phenylmethyl]benzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NC(c1ccccc1)c1cccc(C)c1
InChIInChI=1S/C21H20ClNO3S/c1-15-7-6-10-17(13-15)21(16-8-4-3-5-9-16)23-27(24,25)20-14-18(22)11-12-19(20)26-2/h3-14,21,23H,1-2H3
InChIKeyZTRYMKRCPVNODQ-UHFFFAOYSA-N
XLogP4.72
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.92
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dichloro-N-[(S)-(4-methylphenyl)-phenylmethyl]benzenesulfonamide
CID 94015794
5-chloro-2-methoxy-N-(3-methyl-1-phenylbutyl)benzenesulfonamide
CID 133160729
N-benzhydryl-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 100668632
5-chloro-2-methoxy-N-[(2S)-2-phenylpropyl]benzenesulfonamide
CID 100551051
5-chloro-N-[1-(2,4-dimethylphenyl)ethyl]-2-methoxybenzenesulfonamide
CID 133201694
5-bromo-2-methoxy-N-[phenyl(pyridin-4-yl)methyl]benzenesulfonamide
CID 112771144
4-chloro-2-methoxy-N-(1-phenylethyl)benzenesulfonamide
CID 50876121
N-benzhydryl-3-methoxy-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 100760048
N-[1-(3-chlorophenyl)ethyl]-2-methoxybenzenesulfonamide
CID 51169513
2,5-dichloro-N-[(R)-(2-methylphenyl)-phenylmethyl]benzenesulfonamide
CID 92646276
CID 70601990
CID 70601990
N-[(2,4-dimethylphenyl)-phenylmethyl]-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 133161577

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[(3-methylphenyl)-phenylmethyl]benzenesulfonamide?
The IUPAC name of 5-chloro-2-methoxy-N-[(3-methylphenyl)-phenylmethyl]benzenesulfonamide (CID 133224794) is 5-chloro-2-methoxy-N-[(3-methylphenyl)-phenylmethyl]benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[(3-methylphenyl)-phenylmethyl]benzenesulfonamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[(3-methylphenyl)-phenylmethyl]benzenesulfonamide is COc1ccc(Cl)cc1S(=O)(=O)NC(c1ccccc1)c1cccc(C)c1.
What is the InChIKey of 5-chloro-2-methoxy-N-[(3-methylphenyl)-phenylmethyl]benzenesulfonamide?
The InChIKey is ZTRYMKRCPVNODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClNO3S/c1-15-7-6-10-17(13-15)21(16-8-4-3-5-9-16)23-27(24,25)20-14-18(22)11-12-19(20)26-2/h3-14,21,23H,1-2H3.
What are the key properties of 5-chloro-2-methoxy-N-[(3-methylphenyl)-phenylmethyl]benzenesulfonamide?
5-chloro-2-methoxy-N-[(3-methylphenyl)-phenylmethyl]benzenesulfonamide has a molecular weight of 401.92 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[(3-methylphenyl)-phenylmethyl]benzenesulfonamide is sourced from PubChem (CID 133224794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).