N-[1-(3-chlorophenyl)ethyl]-2-methoxybenzenesulfonamide

C15H16ClNO3S — CID 51169513

IUPACN-[1-(3-chlorophenyl)ethyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)NC(C)c1cccc(Cl)c1
InChIInChI=1S/C15H16ClNO3S/c1-11(12-6-5-7-13(16)10-12)17-21(18,19)15-9-4-3-8-14(15)20-2/h3-11,17H,1-2H3
InChIKeyVXEARVIXWAQSPU-UHFFFAOYSA-N
MW325.82 g/mol
LogP3.39
Rot. Bonds5

About N-[1-(3-chlorophenyl)ethyl]-2-methoxybenzenesulfonamide

N-[1-(3-chlorophenyl)ethyl]-2-methoxybenzenesulfonamide (PubChem CID 51169513) has the molecular formula C15H16ClNO3S and a molecular weight of 325.82 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]-2-methoxybenzenesulfonamide
PubChem CID51169513
Molecular FormulaC15H16ClNO3S
Molecular Weight325.82 g/mol
Exact Mass325.05
IUPAC NameN-[1-(3-chlorophenyl)ethyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)NC(C)c1cccc(Cl)c1
InChIInChI=1S/C15H16ClNO3S/c1-11(12-6-5-7-13(16)10-12)17-21(18,19)15-9-4-3-8-14(15)20-2/h3-11,17H,1-2H3
InChIKeyVXEARVIXWAQSPU-UHFFFAOYSA-N
XLogP3.39
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-methoxy-N-(1-phenylethyl)benzenesulfonamide
CID 50876121
N-[1-(3,4-difluorophenyl)ethyl]-2-methoxybenzenesulfonamide
CID 51169674
5-amino-N-[1-(3-chlorophenyl)ethyl]-2-methylbenzenesulfonamide
CID 61106723
4-chloro-2,5-dimethoxy-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 991853
2-bromo-N-[1-(3-chlorophenyl)ethyl]-4-fluorobenzenesulfonamide
CID 61074330
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-chlorobenzenesulfonamide
CID 46445215
N-[1-(3-chlorophenyl)ethyl]thiophene-2-sulfonamide
CID 51169508
2-amino-N-[1-(3-chlorophenyl)ethyl]-4-methylbenzenesulfonamide
CID 61105225
N-[1-(3-bromophenyl)ethyl]-5-fluoro-2-methoxybenzenesulfonamide
CID 43874274
2-methoxy-4,5-dimethyl-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 40921810
N-[1-(3-methoxyphenyl)ethyl]-2-methylbenzenesulfonamide
CID 45368198
N-[(2R)-1-hydroxypropan-2-yl]-2-methoxybenzenesulfonamide
CID 79027643

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]-2-methoxybenzenesulfonamide?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]-2-methoxybenzenesulfonamide (CID 51169513) is N-[1-(3-chlorophenyl)ethyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]-2-methoxybenzenesulfonamide is COc1ccccc1S(=O)(=O)NC(C)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]-2-methoxybenzenesulfonamide?
The InChIKey is VXEARVIXWAQSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO3S/c1-11(12-6-5-7-13(16)10-12)17-21(18,19)15-9-4-3-8-14(15)20-2/h3-11,17H,1-2H3.
What are the key properties of N-[1-(3-chlorophenyl)ethyl]-2-methoxybenzenesulfonamide?
N-[1-(3-chlorophenyl)ethyl]-2-methoxybenzenesulfonamide has a molecular weight of 325.82 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)ethyl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 51169513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).