N-[2-(2-chloro-4-methoxyphenyl)ethyl]benzenesulfonamide

C15H16ClNO3S — CID 110789779

IUPACN-[2-(2-chloro-4-methoxyphenyl)ethyl]benzenesulfonamide
SMILESCOc1ccc(CCNS(=O)(=O)c2ccccc2)c(Cl)c1
InChIInChI=1S/C15H16ClNO3S/c1-20-13-8-7-12(15(16)11-13)9-10-17-21(18,19)14-5-3-2-4-6-14/h2-8,11,17H,9-10H2,1H3
InChIKeyOUKJFXISMFRZDQ-UHFFFAOYSA-N
MW325.82 g/mol
LogP2.87
Rot. Bonds6

About N-[2-(2-chloro-4-methoxyphenyl)ethyl]benzenesulfonamide

N-[2-(2-chloro-4-methoxyphenyl)ethyl]benzenesulfonamide (PubChem CID 110789779) has the molecular formula C15H16ClNO3S and a molecular weight of 325.82 g/mol. Its IUPAC name is N-[2-(2-chloro-4-methoxyphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2-chloro-4-methoxyphenyl)ethyl]benzenesulfonamide
PubChem CID110789779
Molecular FormulaC15H16ClNO3S
Molecular Weight325.82 g/mol
Exact Mass325.05
IUPAC NameN-[2-(2-chloro-4-methoxyphenyl)ethyl]benzenesulfonamide
SMILESCOc1ccc(CCNS(=O)(=O)c2ccccc2)c(Cl)c1
InChIInChI=1S/C15H16ClNO3S/c1-20-13-8-7-12(15(16)11-13)9-10-17-21(18,19)14-5-3-2-4-6-14/h2-8,11,17H,9-10H2,1H3
InChIKeyOUKJFXISMFRZDQ-UHFFFAOYSA-N
XLogP2.87
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-chloro-4-methoxyphenyl)ethyl]propane-1-sulfonamide
CID 110789776
4-chloro-N-[2-(2,4-dimethoxyphenyl)ethyl]benzenesulfonamide
CID 110601508
3-chloro-N-[2-(2,4-dimethoxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 110601522
2-(2-chloro-4-methoxyphenyl)ethylcarbamic acid
CID 115171143
4-methoxy-N-[2-(2-sulfanylphenyl)ethyl]benzenesulfonamide
CID 57323122
N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide
CID 4870862
N-[2-(5-fluoro-2-methoxyphenyl)ethyl]benzenesulfonamide
CID 110787683
N-[2-(2-chloro-4-methoxyphenyl)ethyl]-2-phenoxyacetamide
CID 110789762
N-[(2-tert-butyl-4-methoxyphenyl)methyl]benzenesulfonamide
CID 4303229
3,4-dichloro-N-[2-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 3731467
4-methoxy-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide
CID 110325662
N-(benzenesulfonyl)-1-[(2-chloro-4-methoxyphenyl)methyl]-2-methylimidazole-4-carboxamide
CID 57001214

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-4-methoxyphenyl)ethyl]benzenesulfonamide?
The IUPAC name of N-[2-(2-chloro-4-methoxyphenyl)ethyl]benzenesulfonamide (CID 110789779) is N-[2-(2-chloro-4-methoxyphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(2-chloro-4-methoxyphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for N-[2-(2-chloro-4-methoxyphenyl)ethyl]benzenesulfonamide is COc1ccc(CCNS(=O)(=O)c2ccccc2)c(Cl)c1.
What is the InChIKey of N-[2-(2-chloro-4-methoxyphenyl)ethyl]benzenesulfonamide?
The InChIKey is OUKJFXISMFRZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO3S/c1-20-13-8-7-12(15(16)11-13)9-10-17-21(18,19)14-5-3-2-4-6-14/h2-8,11,17H,9-10H2,1H3.
What are the key properties of N-[2-(2-chloro-4-methoxyphenyl)ethyl]benzenesulfonamide?
N-[2-(2-chloro-4-methoxyphenyl)ethyl]benzenesulfonamide has a molecular weight of 325.82 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-4-methoxyphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 110789779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).