4-methyl-N-[(S)-phenyl-[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide

C21H18F3NO2S — CID 134952770

IUPAC4-methyl-N-[(S)-phenyl-[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C21H18F3NO2S/c1-15-10-12-19(13-11-15)28(26,27)25-20(16-6-3-2-4-7-16)17-8-5-9-18(14-17)21(22,23)24/h2-14,20,25H,1H3/t20-/m0/s1
InChIKeyHWIVZGHQKJBVJY-FQEVSTJZSA-N
MW405.44 g/mol
LogP5.08
Rot. Bonds5

About 4-methyl-N-[(S)-phenyl-[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide

4-methyl-N-[(S)-phenyl-[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide (PubChem CID 134952770) has the molecular formula C21H18F3NO2S and a molecular weight of 405.44 g/mol. Its IUPAC name is 4-methyl-N-[(S)-phenyl-[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(S)-phenyl-[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
PubChem CID134952770
Molecular FormulaC21H18F3NO2S
Molecular Weight405.44 g/mol
Exact Mass405.10
IUPAC Name4-methyl-N-[(S)-phenyl-[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C21H18F3NO2S/c1-15-10-12-19(13-11-15)28(26,27)25-20(16-6-3-2-4-7-16)17-8-5-9-18(14-17)21(22,23)24/h2-14,20,25H,1H3/t20-/m0/s1
InChIKeyHWIVZGHQKJBVJY-FQEVSTJZSA-N
XLogP5.08
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.44
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(S)-(3-bromophenyl)-phenylmethyl]-4-methylbenzenesulfonamide
CID 102281478
4-methyl-N-[(4-methylphenyl)-(4-phenylphenyl)methyl]benzenesulfonamide
CID 134927453
4-methyl-N-[(R)-(4-methylphenyl)-(4-phenylphenyl)methyl]benzenesulfonamide
CID 102072204
N-benzhydryl-4-phenylbenzenesulfonamide
CID 3504321
(2R)-2-[(4-methylphenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 1378166
N-[4-[[(4-methylphenyl)-phenylmethyl]sulfamoyl]phenyl]acetamide
CID 78686932
4-methoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide
CID 43001289
N-[(S)-(3,4-dimethylphenyl)-phenylmethyl]benzenesulfonamide
CID 26528903
N-[(1S)-2-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]ethyl]-4-phenoxybenzenesulfonamide
CID 164862066
N,N-dimethyl-2-[(R)-[(4-methylphenyl)sulfonylamino]-[4-(trifluoromethyl)phenyl]methyl]indole-1-carboxamide
CID 102490766
N-[(S)-(4-chlorophenyl)-(3,4-difluorophenyl)methyl]-4-methylbenzenesulfonamide
CID 134952581
4-methoxy-3-methyl-N-[(4-methylphenyl)-phenylmethyl]benzenesulfonamide
CID 43908516

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(S)-phenyl-[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(S)-phenyl-[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide (CID 134952770) is 4-methyl-N-[(S)-phenyl-[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(S)-phenyl-[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(S)-phenyl-[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)c2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 4-methyl-N-[(S)-phenyl-[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide?
The InChIKey is HWIVZGHQKJBVJY-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H18F3NO2S/c1-15-10-12-19(13-11-15)28(26,27)25-20(16-6-3-2-4-7-16)17-8-5-9-18(14-17)21(22,23)24/h2-14,20,25H,1H3/t20-/m0/s1.
What are the key properties of 4-methyl-N-[(S)-phenyl-[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide?
4-methyl-N-[(S)-phenyl-[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide has a molecular weight of 405.44 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(S)-phenyl-[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 134952770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).