N-[(S)-(3-bromophenyl)-phenylmethyl]-4-methylbenzenesulfonamide

C20H18BrNO2S — CID 102281478

IUPACN-[(S)-(3-bromophenyl)-phenylmethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)c2cccc(Br)c2)cc1
InChIInChI=1S/C20H18BrNO2S/c1-15-10-12-19(13-11-15)25(23,24)22-20(16-6-3-2-4-7-16)17-8-5-9-18(21)14-17/h2-14,20,22H,1H3/t20-/m0/s1
InChIKeyHEVURKSDSUDQKD-FQEVSTJZSA-N
MW416.34 g/mol
LogP4.83
Rot. Bonds5

About N-[(S)-(3-bromophenyl)-phenylmethyl]-4-methylbenzenesulfonamide

N-[(S)-(3-bromophenyl)-phenylmethyl]-4-methylbenzenesulfonamide (PubChem CID 102281478) has the molecular formula C20H18BrNO2S and a molecular weight of 416.34 g/mol. Its IUPAC name is N-[(S)-(3-bromophenyl)-phenylmethyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(S)-(3-bromophenyl)-phenylmethyl]-4-methylbenzenesulfonamide
PubChem CID102281478
Molecular FormulaC20H18BrNO2S
Molecular Weight416.34 g/mol
Exact Mass415.02
IUPAC NameN-[(S)-(3-bromophenyl)-phenylmethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)c2cccc(Br)c2)cc1
InChIInChI=1S/C20H18BrNO2S/c1-15-10-12-19(13-11-15)25(23,24)22-20(16-6-3-2-4-7-16)17-8-5-9-18(21)14-17/h2-14,20,22H,1H3/t20-/m0/s1
InChIKeyHEVURKSDSUDQKD-FQEVSTJZSA-N
XLogP4.83
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.34
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-[(S)-phenyl-[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 134952770
4-methyl-N-[(4-methylphenyl)-(4-phenylphenyl)methyl]benzenesulfonamide
CID 134927453
4-methyl-N-[(R)-(4-methylphenyl)-(4-phenylphenyl)methyl]benzenesulfonamide
CID 102072204
N-[(S)-(3,4-dimethylphenyl)-phenylmethyl]benzenesulfonamide
CID 26528903
N-benzhydryl-4-phenylbenzenesulfonamide
CID 3504321
N-[4-[[(4-methylphenyl)-phenylmethyl]sulfamoyl]phenyl]acetamide
CID 78686932
[(3-bromophenyl)-phenylmethyl]hydrazine;toluene
CID 145340626
4-methoxy-3-methyl-N-[(4-methylphenyl)-phenylmethyl]benzenesulfonamide
CID 43908516
N-benzhydryl-2,4-dimethylbenzenesulfonamide
CID 19681706
N-[(R)-(4-methylphenyl)-phenylmethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 28954772
5-bromo-N-[(R)-(4-methylphenyl)-phenylmethyl]thiophene-2-sulfonamide
CID 38005000
N-[(S)-(4-chlorophenyl)-(3,4-difluorophenyl)methyl]-4-methylbenzenesulfonamide
CID 134952581

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(3-bromophenyl)-phenylmethyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(S)-(3-bromophenyl)-phenylmethyl]-4-methylbenzenesulfonamide (CID 102281478) is N-[(S)-(3-bromophenyl)-phenylmethyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(S)-(3-bromophenyl)-phenylmethyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(S)-(3-bromophenyl)-phenylmethyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)c2cccc(Br)c2)cc1.
What is the InChIKey of N-[(S)-(3-bromophenyl)-phenylmethyl]-4-methylbenzenesulfonamide?
The InChIKey is HEVURKSDSUDQKD-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H18BrNO2S/c1-15-10-12-19(13-11-15)25(23,24)22-20(16-6-3-2-4-7-16)17-8-5-9-18(21)14-17/h2-14,20,22H,1H3/t20-/m0/s1.
What are the key properties of N-[(S)-(3-bromophenyl)-phenylmethyl]-4-methylbenzenesulfonamide?
N-[(S)-(3-bromophenyl)-phenylmethyl]-4-methylbenzenesulfonamide has a molecular weight of 416.34 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(3-bromophenyl)-phenylmethyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 102281478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).