N-[(S)-(4-chlorophenyl)-(3,4-difluorophenyl)methyl]-4-methylbenzenesulfonamide

C20H16ClF2NO2S — CID 134952581

IUPACN-[(S)-(4-chlorophenyl)-(3,4-difluorophenyl)methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H](c2ccc(Cl)cc2)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C20H16ClF2NO2S/c1-13-2-9-17(10-3-13)27(25,26)24-20(14-4-7-16(21)8-5-14)15-6-11-18(22)19(23)12-15/h2-12,20,24H,1H3/t20-/m0/s1
InChIKeyWZRIQQTZFUFCBL-FQEVSTJZSA-N
MW407.87 g/mol
LogP4.99
Rot. Bonds5

About N-[(S)-(4-chlorophenyl)-(3,4-difluorophenyl)methyl]-4-methylbenzenesulfonamide

N-[(S)-(4-chlorophenyl)-(3,4-difluorophenyl)methyl]-4-methylbenzenesulfonamide (PubChem CID 134952581) has the molecular formula C20H16ClF2NO2S and a molecular weight of 407.87 g/mol. Its IUPAC name is N-[(S)-(4-chlorophenyl)-(3,4-difluorophenyl)methyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(S)-(4-chlorophenyl)-(3,4-difluorophenyl)methyl]-4-methylbenzenesulfonamide
PubChem CID134952581
Molecular FormulaC20H16ClF2NO2S
Molecular Weight407.87 g/mol
Exact Mass407.06
IUPAC NameN-[(S)-(4-chlorophenyl)-(3,4-difluorophenyl)methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H](c2ccc(Cl)cc2)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C20H16ClF2NO2S/c1-13-2-9-17(10-3-13)27(25,26)24-20(14-4-7-16(21)8-5-14)15-6-11-18(22)19(23)12-15/h2-12,20,24H,1H3/t20-/m0/s1
InChIKeyWZRIQQTZFUFCBL-FQEVSTJZSA-N
XLogP4.99
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.87
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-difluoro-N-[(4-methylphenyl)-thiophen-2-ylmethyl]benzenesulfonamide
CID 17499037
N-[bis(3,4-dimethoxyphenyl)methyl]-4-chlorobenzenesulfonamide
CID 2316867
N-[(4-chlorophenyl)-(2-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 122208016
N-[(4-chlorophenyl)-(4-methylphenyl)sulfonylmethyl]-4-methylbenzenesulfonamide
CID 16743563
4-methyl-N-[(4-methylphenyl)-(4-phenylphenyl)methyl]benzenesulfonamide
CID 134927453
4-methyl-N-[(R)-(4-methylphenyl)-(4-phenylphenyl)methyl]benzenesulfonamide
CID 102072204
N-[(4-chlorophenyl)-(7-oxocyclohepten-1-yl)methyl]-4-methylbenzenesulfonamide
CID 11058536
N-(4-chlorophenyl)sulfonyl-4-methylbenzenesulfonamide
CID 10593652
N-[1-(4-chlorophenyl)-2-methoxyprop-2-enyl]-4-methylbenzenesulfonamide
CID 11302594
N-[(S)-(3-bromophenyl)-phenylmethyl]-4-methylbenzenesulfonamide
CID 102281478
2,5-dichloro-N-[(S)-(4-methylphenyl)-phenylmethyl]benzenesulfonamide
CID 94015794
4-methyl-N-[(S)-phenyl-[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 134952770

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(4-chlorophenyl)-(3,4-difluorophenyl)methyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(S)-(4-chlorophenyl)-(3,4-difluorophenyl)methyl]-4-methylbenzenesulfonamide (CID 134952581) is N-[(S)-(4-chlorophenyl)-(3,4-difluorophenyl)methyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(S)-(4-chlorophenyl)-(3,4-difluorophenyl)methyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(S)-(4-chlorophenyl)-(3,4-difluorophenyl)methyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N[C@@H](c2ccc(Cl)cc2)c2ccc(F)c(F)c2)cc1.
What is the InChIKey of N-[(S)-(4-chlorophenyl)-(3,4-difluorophenyl)methyl]-4-methylbenzenesulfonamide?
The InChIKey is WZRIQQTZFUFCBL-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H16ClF2NO2S/c1-13-2-9-17(10-3-13)27(25,26)24-20(14-4-7-16(21)8-5-14)15-6-11-18(22)19(23)12-15/h2-12,20,24H,1H3/t20-/m0/s1.
What are the key properties of N-[(S)-(4-chlorophenyl)-(3,4-difluorophenyl)methyl]-4-methylbenzenesulfonamide?
N-[(S)-(4-chlorophenyl)-(3,4-difluorophenyl)methyl]-4-methylbenzenesulfonamide has a molecular weight of 407.87 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(4-chlorophenyl)-(3,4-difluorophenyl)methyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 134952581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).