N-[1-(4-chlorophenyl)ethyl]-N-methylpropane-1-sulfonamide

C12H18ClNO2S — CID 61383758

IUPACN-[1-(4-chlorophenyl)ethyl]-N-methylpropane-1-sulfonamide
SMILESCCCS(=O)(=O)N(C)C(C)c1ccc(Cl)cc1
InChIInChI=1S/C12H18ClNO2S/c1-4-9-17(15,16)14(3)10(2)11-5-7-12(13)8-6-11/h5-8,10H,4,9H2,1-3H3
InChIKeyXJOHUOMNUKBAGX-UHFFFAOYSA-N
MW275.80 g/mol
LogP3.07
Rot. Bonds5

About N-[1-(4-chlorophenyl)ethyl]-N-methylpropane-1-sulfonamide

N-[1-(4-chlorophenyl)ethyl]-N-methylpropane-1-sulfonamide (PubChem CID 61383758) has the molecular formula C12H18ClNO2S and a molecular weight of 275.80 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-N-methylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-N-methylpropane-1-sulfonamide
PubChem CID61383758
Molecular FormulaC12H18ClNO2S
Molecular Weight275.80 g/mol
Exact Mass275.07
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-N-methylpropane-1-sulfonamide
SMILESCCCS(=O)(=O)N(C)C(C)c1ccc(Cl)cc1
InChIInChI=1S/C12H18ClNO2S/c1-4-9-17(15,16)14(3)10(2)11-5-7-12(13)8-6-11/h5-8,10H,4,9H2,1-3H3
InChIKeyXJOHUOMNUKBAGX-UHFFFAOYSA-N
XLogP3.07
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.80
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-chlorophenyl)ethyl]-N-methylpropan-2-amine
CID 101225058
N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]propane-1-sulfonamide
CID 112503735
(1R)-1-(4-chlorophenyl)-N-(2-propylsulfonylethyl)ethanamine
CID 106724080
1-chloro-N-methyl-N-(1-phenylethyl)methanesulfonamide
CID 63665534
N-[1-(4-hydroxyphenyl)ethyl]-2-methoxy-N-methylethanesulfonamide
CID 55014354
N-[(1S)-1-(4-chlorophenyl)ethyl]-3,5-difluoro-N-methylbenzenesulfonamide
CID 35391042
3-[1-(4-fluorophenyl)ethyl-methylsulfamoyl]propanoic acid
CID 60950963
N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-(propan-2-ylamino)ethanesulfonamide
CID 62983881
2-(bromomethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methylpentan-1-amine
CID 65013047
N'-[1-(4-chlorophenyl)ethyl]-N'-methyl-N-(2-methylsulfonylethyl)ethane-1,2-diamine
CID 62984219
2-amino-N-[1-(4-chlorophenyl)ethyl]-N-methyl-4-methylsulfonylbutanamide
CID 60938421
1-[1-(4-chlorophenyl)ethyl]-3,3-diethyl-1-methylurea
CID 115618579

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-N-methylpropane-1-sulfonamide?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-N-methylpropane-1-sulfonamide (CID 61383758) is N-[1-(4-chlorophenyl)ethyl]-N-methylpropane-1-sulfonamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-N-methylpropane-1-sulfonamide?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-N-methylpropane-1-sulfonamide is CCCS(=O)(=O)N(C)C(C)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-N-methylpropane-1-sulfonamide?
The InChIKey is XJOHUOMNUKBAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO2S/c1-4-9-17(15,16)14(3)10(2)11-5-7-12(13)8-6-11/h5-8,10H,4,9H2,1-3H3.
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-N-methylpropane-1-sulfonamide?
N-[1-(4-chlorophenyl)ethyl]-N-methylpropane-1-sulfonamide has a molecular weight of 275.80 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-N-methylpropane-1-sulfonamide is sourced from PubChem (CID 61383758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).