N-[2-(2-chloro-4-methoxyphenyl)ethyl]propane-1-sulfonamide

C12H18ClNO3S — CID 110789776

IUPACN-[2-(2-chloro-4-methoxyphenyl)ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCc1ccc(OC)cc1Cl
InChIInChI=1S/C12H18ClNO3S/c1-3-8-18(15,16)14-7-6-10-4-5-11(17-2)9-12(10)13/h4-5,9,14H,3,6-8H2,1-2H3
InChIKeyKIGQPTGNRDWUAE-UHFFFAOYSA-N
MW291.80 g/mol
LogP2.22
Rot. Bonds7

About N-[2-(2-chloro-4-methoxyphenyl)ethyl]propane-1-sulfonamide

N-[2-(2-chloro-4-methoxyphenyl)ethyl]propane-1-sulfonamide (PubChem CID 110789776) has the molecular formula C12H18ClNO3S and a molecular weight of 291.80 g/mol. Its IUPAC name is N-[2-(2-chloro-4-methoxyphenyl)ethyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-chloro-4-methoxyphenyl)ethyl]propane-1-sulfonamide
PubChem CID110789776
Molecular FormulaC12H18ClNO3S
Molecular Weight291.80 g/mol
Exact Mass291.07
IUPAC NameN-[2-(2-chloro-4-methoxyphenyl)ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCc1ccc(OC)cc1Cl
InChIInChI=1S/C12H18ClNO3S/c1-3-8-18(15,16)14-7-6-10-4-5-11(17-2)9-12(10)13/h4-5,9,14H,3,6-8H2,1-2H3
InChIKeyKIGQPTGNRDWUAE-UHFFFAOYSA-N
XLogP2.22
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.80
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-chloro-4-methoxyphenyl)ethyl]benzenesulfonamide
CID 110789779
N-[2-(6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]propane-1-sulfonamide
CID 110326068
2-(2-chloro-4-methoxyphenyl)ethylcarbamic acid
CID 115171143
N'-[2-(2-chloro-4-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 115195439
N-[2-(5-chloro-2-fluorophenyl)ethyl]propane-1-sulfonamide
CID 110790550
1-amino-3-[2-(2-chloro-4-methoxyphenyl)ethyl]urea
CID 115192925
N-[2-(2-methoxy-4-propan-2-ylphenyl)ethyl]propane-1-sulfonamide
CID 110789542
2-amino-N-[2-(2-chloro-4-methoxyphenyl)ethyl]acetamide
CID 96676269
N-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]propane-1-sulfonamide
CID 110789714
2-(2-chloro-4-methoxyphenyl)ethanol
CID 66697098
2-[[2-(2-chloro-4-methoxyphenyl)ethylamino]methyl]butanenitrile
CID 115254045
2-(2,4-dichlorophenyl)-N-(2-propylsulfonylethyl)ethanamine
CID 106723048

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-4-methoxyphenyl)ethyl]propane-1-sulfonamide?
The IUPAC name of N-[2-(2-chloro-4-methoxyphenyl)ethyl]propane-1-sulfonamide (CID 110789776) is N-[2-(2-chloro-4-methoxyphenyl)ethyl]propane-1-sulfonamide.
What is the SMILES notation for N-[2-(2-chloro-4-methoxyphenyl)ethyl]propane-1-sulfonamide?
The canonical SMILES for N-[2-(2-chloro-4-methoxyphenyl)ethyl]propane-1-sulfonamide is CCCS(=O)(=O)NCCc1ccc(OC)cc1Cl.
What is the InChIKey of N-[2-(2-chloro-4-methoxyphenyl)ethyl]propane-1-sulfonamide?
The InChIKey is KIGQPTGNRDWUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO3S/c1-3-8-18(15,16)14-7-6-10-4-5-11(17-2)9-12(10)13/h4-5,9,14H,3,6-8H2,1-2H3.
What are the key properties of N-[2-(2-chloro-4-methoxyphenyl)ethyl]propane-1-sulfonamide?
N-[2-(2-chloro-4-methoxyphenyl)ethyl]propane-1-sulfonamide has a molecular weight of 291.80 g/mol, XLogP of 2.22, 7 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]propane-1-sulfonamide is sourced from PubChem (CID 110789776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).