2,5-dichloro-N-[(R)-(2-methylphenyl)-phenylmethyl]benzenesulfonamide

C20H17Cl2NO2S — CID 92646276

IUPAC2,5-dichloro-N-[(R)-(2-methylphenyl)-phenylmethyl]benzenesulfonamide
SMILESCc1ccccc1[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccccc1
InChIInChI=1S/C20H17Cl2NO2S/c1-14-7-5-6-10-17(14)20(15-8-3-2-4-9-15)23-26(24,25)19-13-16(21)11-12-18(19)22/h2-13,20,23H,1H3/t20-/m1/s1
InChIKeySFDQFCCORMHADG-HXUWFJFHSA-N
MW406.33 g/mol
LogP5.37
Rot. Bonds5

About 2,5-dichloro-N-[(R)-(2-methylphenyl)-phenylmethyl]benzenesulfonamide

2,5-dichloro-N-[(R)-(2-methylphenyl)-phenylmethyl]benzenesulfonamide (PubChem CID 92646276) has the molecular formula C20H17Cl2NO2S and a molecular weight of 406.33 g/mol. Its IUPAC name is 2,5-dichloro-N-[(R)-(2-methylphenyl)-phenylmethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[(R)-(2-methylphenyl)-phenylmethyl]benzenesulfonamide
PubChem CID92646276
Molecular FormulaC20H17Cl2NO2S
Molecular Weight406.33 g/mol
Exact Mass405.04
IUPAC Name2,5-dichloro-N-[(R)-(2-methylphenyl)-phenylmethyl]benzenesulfonamide
SMILESCc1ccccc1[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccccc1
InChIInChI=1S/C20H17Cl2NO2S/c1-14-7-5-6-10-17(14)20(15-8-3-2-4-9-15)23-26(24,25)19-13-16(21)11-12-18(19)22/h2-13,20,23H,1H3/t20-/m1/s1
InChIKeySFDQFCCORMHADG-HXUWFJFHSA-N
XLogP5.37
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.33
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dichloro-N-[(S)-(4-methylphenyl)-phenylmethyl]benzenesulfonamide
CID 94015794
2-[(2,5-dichlorophenyl)sulfonylamino]-2-phenylacetic acid
CID 71563429
N-(2-bromo-1-phenylethyl)-2,5-dichlorobenzenesulfonamide
CID 114296882
methyl 2-chloro-5-[[(R)-(2-methylphenyl)-phenylmethyl]sulfamoyl]benzoate
CID 100657490
2,5-dichloro-N-[cyano(phenyl)methyl]benzenesulfonamide
CID 60707601
2,5-dichloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 103837069
4-methoxy-2,3-dimethyl-N-[(R)-(2-methylphenyl)-phenylmethyl]benzenesulfonamide
CID 100587778
2-amino-5-chloro-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 61105076
4-chloro-N-[(S)-(2-methylphenyl)-phenylmethyl]-3-(phenylsulfamoyl)benzamide
CID 94016501
6-amino-N-[(4-chlorophenyl)-(2-methylphenyl)methyl]-5-methylpyridine-3-sulfonamide
CID 166378294
2,5-dichloro-N-[1-(2,4-dimethylphenyl)ethyl]benzenesulfonamide
CID 22201049
2,5-dichloro-N-(2,5-dichlorophenyl)sulfonylbenzenesulfonamide
CID 121010955

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[(R)-(2-methylphenyl)-phenylmethyl]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[(R)-(2-methylphenyl)-phenylmethyl]benzenesulfonamide (CID 92646276) is 2,5-dichloro-N-[(R)-(2-methylphenyl)-phenylmethyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[(R)-(2-methylphenyl)-phenylmethyl]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[(R)-(2-methylphenyl)-phenylmethyl]benzenesulfonamide is Cc1ccccc1[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccccc1.
What is the InChIKey of 2,5-dichloro-N-[(R)-(2-methylphenyl)-phenylmethyl]benzenesulfonamide?
The InChIKey is SFDQFCCORMHADG-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H17Cl2NO2S/c1-14-7-5-6-10-17(14)20(15-8-3-2-4-9-15)23-26(24,25)19-13-16(21)11-12-18(19)22/h2-13,20,23H,1H3/t20-/m1/s1.
What are the key properties of 2,5-dichloro-N-[(R)-(2-methylphenyl)-phenylmethyl]benzenesulfonamide?
2,5-dichloro-N-[(R)-(2-methylphenyl)-phenylmethyl]benzenesulfonamide has a molecular weight of 406.33 g/mol, XLogP of 5.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[(R)-(2-methylphenyl)-phenylmethyl]benzenesulfonamide is sourced from PubChem (CID 92646276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).