2-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]benzenesulfonamide

C16H15ClFNO2S — CID 42269699

IUPAC2-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1(c2ccc(F)cc2)CC1)c1ccccc1Cl
InChIInChI=1S/C16H15ClFNO2S/c17-14-3-1-2-4-15(14)22(20,21)19-11-16(9-10-16)12-5-7-13(18)8-6-12/h1-8,19H,9-11H2
InChIKeyVTCIUSQCOUDOBZ-UHFFFAOYSA-N
MW339.82 g/mol
LogP3.49
Rot. Bonds5

About 2-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]benzenesulfonamide

2-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]benzenesulfonamide (PubChem CID 42269699) has the molecular formula C16H15ClFNO2S and a molecular weight of 339.82 g/mol. Its IUPAC name is 2-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]benzenesulfonamide
PubChem CID42269699
Molecular FormulaC16H15ClFNO2S
Molecular Weight339.82 g/mol
Exact Mass339.05
IUPAC Name2-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1(c2ccc(F)cc2)CC1)c1ccccc1Cl
InChIInChI=1S/C16H15ClFNO2S/c17-14-3-1-2-4-15(14)22(20,21)19-11-16(9-10-16)12-5-7-13(18)8-6-12/h1-8,19H,9-11H2
InChIKeyVTCIUSQCOUDOBZ-UHFFFAOYSA-N
XLogP3.49
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.82
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-2-methyl-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide
CID 39628447
2-chloro-N-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]benzenesulfonamide
CID 113090921
2,5-dichloro-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide
CID 42269295
4-tert-butyl-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]benzenesulfonamide
CID 42269691
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzenesulfonamide
CID 27451425
2-chloro-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide
CID 65122738
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2,4,6-trimethylbenzenesulfonamide
CID 42269706
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-phenylpropane-1-sulfonamide
CID 113090696
2-chloro-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 26680947
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-nitrobenzenesulfonamide
CID 42269725
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2,5-dimethylbenzenesulfonamide
CID 27451515
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]benzenesulfonamide
CID 110444598

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]benzenesulfonamide (CID 42269699) is 2-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]benzenesulfonamide is O=S(=O)(NCC1(c2ccc(F)cc2)CC1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]benzenesulfonamide?
The InChIKey is VTCIUSQCOUDOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO2S/c17-14-3-1-2-4-15(14)22(20,21)19-11-16(9-10-16)12-5-7-13(18)8-6-12/h1-8,19H,9-11H2.
What are the key properties of 2-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]benzenesulfonamide?
2-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]benzenesulfonamide has a molecular weight of 339.82 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]benzenesulfonamide is sourced from PubChem (CID 42269699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).