N-[(S)-(4-methoxyphenyl)-phenylmethyl]naphthalene-2-sulfonamide

C24H21NO3S — CID 1259617

IUPACN-[(S)-(4-methoxyphenyl)-phenylmethyl]naphthalene-2-sulfonamide
SMILESCOc1ccc([C@@H](NS(=O)(=O)c2ccc3ccccc3c2)c2ccccc2)cc1
InChIInChI=1S/C24H21NO3S/c1-28-22-14-11-20(12-15-22)24(19-8-3-2-4-9-19)25-29(26,27)23-16-13-18-7-5-6-10-21(18)17-23/h2-17,24-25H,1H3/t24-/m0/s1
InChIKeyVWVNSAGWEJZTQB-DEOSSOPVSA-N
MW403.50 g/mol
LogP4.92
Rot. Bonds6

About N-[(S)-(4-methoxyphenyl)-phenylmethyl]naphthalene-2-sulfonamide

N-[(S)-(4-methoxyphenyl)-phenylmethyl]naphthalene-2-sulfonamide (PubChem CID 1259617) has the molecular formula C24H21NO3S and a molecular weight of 403.50 g/mol. Its IUPAC name is N-[(S)-(4-methoxyphenyl)-phenylmethyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[(S)-(4-methoxyphenyl)-phenylmethyl]naphthalene-2-sulfonamide
PubChem CID1259617
Molecular FormulaC24H21NO3S
Molecular Weight403.50 g/mol
Exact Mass403.12
IUPAC NameN-[(S)-(4-methoxyphenyl)-phenylmethyl]naphthalene-2-sulfonamide
SMILESCOc1ccc([C@@H](NS(=O)(=O)c2ccc3ccccc3c2)c2ccccc2)cc1
InChIInChI=1S/C24H21NO3S/c1-28-22-14-11-20(12-15-22)24(19-8-3-2-4-9-19)25-29(26,27)23-16-13-18-7-5-6-10-21(18)17-23/h2-17,24-25H,1H3/t24-/m0/s1
InChIKeyVWVNSAGWEJZTQB-DEOSSOPVSA-N
XLogP4.92
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-[(1R,2S)-2-[(4-methoxyphenyl)sulfonylamino]-1,2-dinaphthalen-2-ylethyl]benzenesulfonamide
CID 2794488
N-[(R)-(2,4-dimethylphenyl)-phenylmethyl]-6-methoxynaphthalene-2-sulfonamide
CID 100697968
4-methoxy-N-(1-phenylethyl)benzenesulfonamide
CID 4092765
4-methoxy-3-methyl-N-[(4-methylphenyl)-phenylmethyl]benzenesulfonamide
CID 43908516
N-[(S)-(4-methoxyphenyl)-phenylmethyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide
CID 51687107
3-methoxy-N-[(4-methoxyphenyl)-phenylmethyl]-4-(tetrazol-1-yl)benzenesulfonamide
CID 3191963
N-[(1R,2R)-2-amino-1,2-diphenylethyl]naphthalene-2-sulfonamide;benzene;ruthenium
CID 87738093
2-[(4-methoxyphenyl)sulfonylamino]-2-phenylacetic acid
CID 500044
N-benzhydryl-2-[(4-methoxyphenyl)methyl]-N'-naphthalen-2-ylsulfonylpropanediamide
CID 68553893
4-methoxy-N-[(R)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
CID 92710992
N-[(R)-1-benzofuran-2-yl-(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 134953908
N-benzhydryl-4-(2-methoxyethoxy)benzenesulfonamide
CID 35295897

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(4-methoxyphenyl)-phenylmethyl]naphthalene-2-sulfonamide?
The IUPAC name of N-[(S)-(4-methoxyphenyl)-phenylmethyl]naphthalene-2-sulfonamide (CID 1259617) is N-[(S)-(4-methoxyphenyl)-phenylmethyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[(S)-(4-methoxyphenyl)-phenylmethyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[(S)-(4-methoxyphenyl)-phenylmethyl]naphthalene-2-sulfonamide is COc1ccc([C@@H](NS(=O)(=O)c2ccc3ccccc3c2)c2ccccc2)cc1.
What is the InChIKey of N-[(S)-(4-methoxyphenyl)-phenylmethyl]naphthalene-2-sulfonamide?
The InChIKey is VWVNSAGWEJZTQB-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H21NO3S/c1-28-22-14-11-20(12-15-22)24(19-8-3-2-4-9-19)25-29(26,27)23-16-13-18-7-5-6-10-21(18)17-23/h2-17,24-25H,1H3/t24-/m0/s1.
What are the key properties of N-[(S)-(4-methoxyphenyl)-phenylmethyl]naphthalene-2-sulfonamide?
N-[(S)-(4-methoxyphenyl)-phenylmethyl]naphthalene-2-sulfonamide has a molecular weight of 403.50 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(4-methoxyphenyl)-phenylmethyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 1259617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).