N-benzhydryl-4-methoxy-2,3-dimethylbenzenesulfonamide

C22H23NO3S — CID 100668632

IUPACN-benzhydryl-4-methoxy-2,3-dimethylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(c2ccccc2)c2ccccc2)c(C)c1C
InChIInChI=1S/C22H23NO3S/c1-16-17(2)21(15-14-20(16)26-3)27(24,25)23-22(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-15,22-23H,1-3H3
InChIKeyIVLSFIQXLGKWNI-UHFFFAOYSA-N
MW381.50 g/mol
LogP4.38
Rot. Bonds6

About N-benzhydryl-4-methoxy-2,3-dimethylbenzenesulfonamide

N-benzhydryl-4-methoxy-2,3-dimethylbenzenesulfonamide (PubChem CID 100668632) has the molecular formula C22H23NO3S and a molecular weight of 381.50 g/mol. Its IUPAC name is N-benzhydryl-4-methoxy-2,3-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-benzhydryl-4-methoxy-2,3-dimethylbenzenesulfonamide
PubChem CID100668632
Molecular FormulaC22H23NO3S
Molecular Weight381.50 g/mol
Exact Mass381.14
IUPAC NameN-benzhydryl-4-methoxy-2,3-dimethylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(c2ccccc2)c2ccccc2)c(C)c1C
InChIInChI=1S/C22H23NO3S/c1-16-17(2)21(15-14-20(16)26-3)27(24,25)23-22(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-15,22-23H,1-3H3
InChIKeyIVLSFIQXLGKWNI-UHFFFAOYSA-N
XLogP4.38
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-2,3-dimethyl-N-[(R)-(2-methylphenyl)-phenylmethyl]benzenesulfonamide
CID 100587778
N-[(2,4-dimethylphenyl)-phenylmethyl]-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 133161577
4-methoxy-2,3-dimethyl-N-[(2R)-2-phenylpropyl]benzenesulfonamide
CID 100550950
N-[1-(3,4-dimethoxyphenyl)propyl]-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 133210573
4-methoxy-3-methyl-N-[(4-methylphenyl)-phenylmethyl]benzenesulfonamide
CID 43908516
5-chloro-2-methoxy-N-[(3-methylphenyl)-phenylmethyl]benzenesulfonamide
CID 133224794
N-benzhydryl-3-methoxy-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 100760048
4-methoxy-2,3-dimethyl-N-[1-(4-methylphenyl)propyl]benzenesulfonamide
CID 133184980
5-bromo-2-methoxy-N-[phenyl(pyridin-4-yl)methyl]benzenesulfonamide
CID 112771144
N-benzhydryl-2,4-dimethylbenzenesulfonamide
CID 19681706
N-(2,6-dimethylphenyl)-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 99490430
4-methoxy-2,3-dimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
CID 100761906

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-4-methoxy-2,3-dimethylbenzenesulfonamide?
The IUPAC name of N-benzhydryl-4-methoxy-2,3-dimethylbenzenesulfonamide (CID 100668632) is N-benzhydryl-4-methoxy-2,3-dimethylbenzenesulfonamide.
What is the SMILES notation for N-benzhydryl-4-methoxy-2,3-dimethylbenzenesulfonamide?
The canonical SMILES for N-benzhydryl-4-methoxy-2,3-dimethylbenzenesulfonamide is COc1ccc(S(=O)(=O)NC(c2ccccc2)c2ccccc2)c(C)c1C.
What is the InChIKey of N-benzhydryl-4-methoxy-2,3-dimethylbenzenesulfonamide?
The InChIKey is IVLSFIQXLGKWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO3S/c1-16-17(2)21(15-14-20(16)26-3)27(24,25)23-22(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-15,22-23H,1-3H3.
What are the key properties of N-benzhydryl-4-methoxy-2,3-dimethylbenzenesulfonamide?
N-benzhydryl-4-methoxy-2,3-dimethylbenzenesulfonamide has a molecular weight of 381.50 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-4-methoxy-2,3-dimethylbenzenesulfonamide is sourced from PubChem (CID 100668632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).