N-[2-(3-chlorophenyl)propan-2-yl]-4-fluorobenzenesulfonamide

C15H15ClFNO2S — CID 110446078

IUPACN-[2-(3-chlorophenyl)propan-2-yl]-4-fluorobenzenesulfonamide
SMILESCC(C)(NS(=O)(=O)c1ccc(F)cc1)c1cccc(Cl)c1
InChIInChI=1S/C15H15ClFNO2S/c1-15(2,11-4-3-5-12(16)10-11)18-21(19,20)14-8-6-13(17)7-9-14/h3-10,18H,1-2H3
InChIKeySMNNXQQVHXEELO-UHFFFAOYSA-N
MW327.81 g/mol
LogP3.69
Rot. Bonds4

About N-[2-(3-chlorophenyl)propan-2-yl]-4-fluorobenzenesulfonamide

N-[2-(3-chlorophenyl)propan-2-yl]-4-fluorobenzenesulfonamide (PubChem CID 110446078) has the molecular formula C15H15ClFNO2S and a molecular weight of 327.81 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)propan-2-yl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)propan-2-yl]-4-fluorobenzenesulfonamide
PubChem CID110446078
Molecular FormulaC15H15ClFNO2S
Molecular Weight327.81 g/mol
Exact Mass327.05
IUPAC NameN-[2-(3-chlorophenyl)propan-2-yl]-4-fluorobenzenesulfonamide
SMILESCC(C)(NS(=O)(=O)c1ccc(F)cc1)c1cccc(Cl)c1
InChIInChI=1S/C15H15ClFNO2S/c1-15(2,11-4-3-5-12(16)10-11)18-21(19,20)14-8-6-13(17)7-9-14/h3-10,18H,1-2H3
InChIKeySMNNXQQVHXEELO-UHFFFAOYSA-N
XLogP3.69
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-fluorophenyl)propan-2-yl]-4-methylbenzenesulfonamide
CID 110440972
4-chloro-N-[2-(4-chlorophenyl)propan-2-yl]benzenesulfonamide
CID 110440463
N-[1-(3-chlorophenyl)-1-cyanoethyl]-4-methylbenzenesulfonamide
CID 135070084
3-chloro-N-[2-(3,4-dimethoxyphenyl)propan-2-yl]benzenesulfonamide
CID 113091569
3,4-dichloro-N-(2-phenylpropan-2-yl)benzenesulfonamide
CID 113091765
1-tert-butyl-3-chlorobenzene;sulfuryl dichloride
CID 174401484
N-[2-(4-fluorophenyl)propan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 113091816
2-(3-chlorophenyl)-N-[(4-fluorophenyl)methyl]-2-methylpropanamide
CID 110437648
N-[2-(3-chlorophenyl)ethyl]-4-fluorobenzenesulfonamide
CID 897615
3-chloro-4-methoxy-N-(2-phenylpropan-2-yl)benzenesulfonamide
CID 113091776
1-[4-(tert-butylsulfamoyl)phenyl]-3-(3-chlorophenyl)urea
CID 1226693
3-[2-(3-chlorophenyl)propan-2-ylamino]-N-methylpropane-1-sulfonamide
CID 86782221

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)propan-2-yl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[2-(3-chlorophenyl)propan-2-yl]-4-fluorobenzenesulfonamide (CID 110446078) is N-[2-(3-chlorophenyl)propan-2-yl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)propan-2-yl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[2-(3-chlorophenyl)propan-2-yl]-4-fluorobenzenesulfonamide is CC(C)(NS(=O)(=O)c1ccc(F)cc1)c1cccc(Cl)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)propan-2-yl]-4-fluorobenzenesulfonamide?
The InChIKey is SMNNXQQVHXEELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO2S/c1-15(2,11-4-3-5-12(16)10-11)18-21(19,20)14-8-6-13(17)7-9-14/h3-10,18H,1-2H3.
What are the key properties of N-[2-(3-chlorophenyl)propan-2-yl]-4-fluorobenzenesulfonamide?
N-[2-(3-chlorophenyl)propan-2-yl]-4-fluorobenzenesulfonamide has a molecular weight of 327.81 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)propan-2-yl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 110446078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).