N-[3-(2-butan-2-yl-5-chlorophenyl)phenyl]methanesulfonamide

C17H20ClNO2S — CID 126760459

IUPACN-[3-(2-butan-2-yl-5-chlorophenyl)phenyl]methanesulfonamide
SMILESCCC(C)c1ccc(Cl)cc1-c1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C17H20ClNO2S/c1-4-12(2)16-9-8-14(18)11-17(16)13-6-5-7-15(10-13)19-22(3,20)21/h5-12,19H,4H2,1-3H3
InChIKeyPICNUAUUBBQZJC-UHFFFAOYSA-N
MW337.87 g/mol
LogP4.89
Rot. Bonds5

About N-[3-(2-butan-2-yl-5-chlorophenyl)phenyl]methanesulfonamide

N-[3-(2-butan-2-yl-5-chlorophenyl)phenyl]methanesulfonamide (PubChem CID 126760459) has the molecular formula C17H20ClNO2S and a molecular weight of 337.87 g/mol. Its IUPAC name is N-[3-(2-butan-2-yl-5-chlorophenyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(2-butan-2-yl-5-chlorophenyl)phenyl]methanesulfonamide
PubChem CID126760459
Molecular FormulaC17H20ClNO2S
Molecular Weight337.87 g/mol
Exact Mass337.09
IUPAC NameN-[3-(2-butan-2-yl-5-chlorophenyl)phenyl]methanesulfonamide
SMILESCCC(C)c1ccc(Cl)cc1-c1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C17H20ClNO2S/c1-4-12(2)16-9-8-14(18)11-17(16)13-6-5-7-15(10-13)19-22(3,20)21/h5-12,19H,4H2,1-3H3
InChIKeyPICNUAUUBBQZJC-UHFFFAOYSA-N
XLogP4.89
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.87
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[2-(5-chloro-2-phenylmethoxyphenyl)phenyl]phenyl]methanesulfonamide
CID 11754161
(2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[3-(methanesulfonamido)anilino]propanamide
CID 37329690
N-[3-(2,5-dichloropyrimidin-4-yl)phenyl]methanesulfonamide
CID 87944678
N-[3-(4-oxobutan-2-yl)phenyl]methanesulfonamide
CID 117355560
N-[3-[(4-chlorophenyl)sulfonylamino]phenyl]-2-methylbutanamide
CID 43062359
3-(2,4-dichlorophenyl)-N-[1-[3-(methanesulfonamido)phenyl]ethyl]propanamide
CID 55711196
1-(4-chlorophenyl)-N-[3-(2,4-dimethoxy-5-propan-2-ylphenyl)phenyl]methanesulfonamide
CID 71012362
1-butan-2-yl-4-chloro-2-fluorobenzene
CID 54159004
N-[3-(4-amino-2-chlorothieno[3,2-d]pyrimidin-7-yl)phenyl]methanesulfonamide
CID 86675656
N-[3-[1-[3-(3-chlorophenoxy)propylamino]ethyl]phenyl]methanesulfonamide
CID 75455958
molecular hydrogen;N-(3-propan-2-ylphenyl)methanesulfonamide
CID 171098076
(2S)-N-(3-chlorophenyl)-2-[4-(methanesulfonamido)anilino]propanamide
CID 31267963

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-butan-2-yl-5-chlorophenyl)phenyl]methanesulfonamide?
The IUPAC name of N-[3-(2-butan-2-yl-5-chlorophenyl)phenyl]methanesulfonamide (CID 126760459) is N-[3-(2-butan-2-yl-5-chlorophenyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-(2-butan-2-yl-5-chlorophenyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[3-(2-butan-2-yl-5-chlorophenyl)phenyl]methanesulfonamide is CCC(C)c1ccc(Cl)cc1-c1cccc(NS(C)(=O)=O)c1.
What is the InChIKey of N-[3-(2-butan-2-yl-5-chlorophenyl)phenyl]methanesulfonamide?
The InChIKey is PICNUAUUBBQZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2S/c1-4-12(2)16-9-8-14(18)11-17(16)13-6-5-7-15(10-13)19-22(3,20)21/h5-12,19H,4H2,1-3H3.
What are the key properties of N-[3-(2-butan-2-yl-5-chlorophenyl)phenyl]methanesulfonamide?
N-[3-(2-butan-2-yl-5-chlorophenyl)phenyl]methanesulfonamide has a molecular weight of 337.87 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-butan-2-yl-5-chlorophenyl)phenyl]methanesulfonamide is sourced from PubChem (CID 126760459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).