N-[(1S)-1-(4-chlorophenyl)ethyl]-3,5-difluoro-N-methylbenzenesulfonamide

C15H14ClF2NO2S — CID 35391042

IUPACN-[(1S)-1-(4-chlorophenyl)ethyl]-3,5-difluoro-N-methylbenzenesulfonamide
SMILESC[C@@H](c1ccc(Cl)cc1)N(C)S(=O)(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C15H14ClF2NO2S/c1-10(11-3-5-12(16)6-4-11)19(2)22(20,21)15-8-13(17)7-14(18)9-15/h3-10H,1-2H3/t10-/m0/s1
InChIKeyCEBSLTZVFWLBHM-JTQLQIEISA-N
MW345.80 g/mol
LogP4.00
Rot. Bonds4

About N-[(1S)-1-(4-chlorophenyl)ethyl]-3,5-difluoro-N-methylbenzenesulfonamide

N-[(1S)-1-(4-chlorophenyl)ethyl]-3,5-difluoro-N-methylbenzenesulfonamide (PubChem CID 35391042) has the molecular formula C15H14ClF2NO2S and a molecular weight of 345.80 g/mol. Its IUPAC name is N-[(1S)-1-(4-chlorophenyl)ethyl]-3,5-difluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-chlorophenyl)ethyl]-3,5-difluoro-N-methylbenzenesulfonamide
PubChem CID35391042
Molecular FormulaC15H14ClF2NO2S
Molecular Weight345.80 g/mol
Exact Mass345.04
IUPAC NameN-[(1S)-1-(4-chlorophenyl)ethyl]-3,5-difluoro-N-methylbenzenesulfonamide
SMILESC[C@@H](c1ccc(Cl)cc1)N(C)S(=O)(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C15H14ClF2NO2S/c1-10(11-3-5-12(16)6-4-11)19(2)22(20,21)15-8-13(17)7-14(18)9-15/h3-10H,1-2H3/t10-/m0/s1
InChIKeyCEBSLTZVFWLBHM-JTQLQIEISA-N
XLogP4.00
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.80
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-5-fluoro-N-methyl-N-(1-pyridin-4-ylethyl)benzenesulfonamide
CID 63322661
N-[1-(4-fluorophenyl)ethyl]-N-methylbenzenesulfonamide
CID 47096598
3-chloro-4-(difluoromethoxy)-N-[1-(4-fluorophenyl)ethyl]-N-methylbenzenesulfonamide
CID 55681643
N-[(1S)-1-(4-chlorophenyl)ethyl]-N-methylimidazo[1,2-a]pyridine-7-sulfonamide
CID 176509400
N-[1-(4-fluorophenyl)ethyl]-3,4-dimethoxy-N-methylbenzenesulfonamide
CID 51278432
N-[1-(4-chlorophenyl)ethyl]-N-methylpropane-1-sulfonamide
CID 61383758
4-bromo-3-fluoro-N-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 103697221
N-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 23331017
3-chloro-4-fluoro-N-methyl-N-[1-(3-nitrophenyl)ethyl]benzenesulfonamide
CID 24525700
N-[1-(4-chlorophenyl)ethyl]-N-methylpropan-2-amine
CID 101225058
2-fluoro-N-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 18192076
5-amino-2-fluoro-N-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 61109520

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-chlorophenyl)ethyl]-3,5-difluoro-N-methylbenzenesulfonamide?
The IUPAC name of N-[(1S)-1-(4-chlorophenyl)ethyl]-3,5-difluoro-N-methylbenzenesulfonamide (CID 35391042) is N-[(1S)-1-(4-chlorophenyl)ethyl]-3,5-difluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[(1S)-1-(4-chlorophenyl)ethyl]-3,5-difluoro-N-methylbenzenesulfonamide?
The canonical SMILES for N-[(1S)-1-(4-chlorophenyl)ethyl]-3,5-difluoro-N-methylbenzenesulfonamide is C[C@@H](c1ccc(Cl)cc1)N(C)S(=O)(=O)c1cc(F)cc(F)c1.
What is the InChIKey of N-[(1S)-1-(4-chlorophenyl)ethyl]-3,5-difluoro-N-methylbenzenesulfonamide?
The InChIKey is CEBSLTZVFWLBHM-JTQLQIEISA-N. The full InChI is InChI=1S/C15H14ClF2NO2S/c1-10(11-3-5-12(16)6-4-11)19(2)22(20,21)15-8-13(17)7-14(18)9-15/h3-10H,1-2H3/t10-/m0/s1.
What are the key properties of N-[(1S)-1-(4-chlorophenyl)ethyl]-3,5-difluoro-N-methylbenzenesulfonamide?
N-[(1S)-1-(4-chlorophenyl)ethyl]-3,5-difluoro-N-methylbenzenesulfonamide has a molecular weight of 345.80 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-chlorophenyl)ethyl]-3,5-difluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 35391042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).