N-(4-chloro-3-methoxyphenyl)propane-1-sulfonamide

C10H14ClNO3S — CID 107623369

IUPACN-(4-chloro-3-methoxyphenyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(Cl)c(OC)c1
InChIInChI=1S/C10H14ClNO3S/c1-3-6-16(13,14)12-8-4-5-9(11)10(7-8)15-2/h4-5,7,12H,3,6H2,1-2H3
InChIKeyKLZNTDJSHJXDSJ-UHFFFAOYSA-N
MW263.75 g/mol
LogP2.50
Rot. Bonds5

About N-(4-chloro-3-methoxyphenyl)propane-1-sulfonamide

N-(4-chloro-3-methoxyphenyl)propane-1-sulfonamide (PubChem CID 107623369) has the molecular formula C10H14ClNO3S and a molecular weight of 263.75 g/mol. Its IUPAC name is N-(4-chloro-3-methoxyphenyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(4-chloro-3-methoxyphenyl)propane-1-sulfonamide
PubChem CID107623369
Molecular FormulaC10H14ClNO3S
Molecular Weight263.75 g/mol
Exact Mass263.04
IUPAC NameN-(4-chloro-3-methoxyphenyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(Cl)c(OC)c1
InChIInChI=1S/C10H14ClNO3S/c1-3-6-16(13,14)12-8-4-5-9(11)10(7-8)15-2/h4-5,7,12H,3,6H2,1-2H3
InChIKeyKLZNTDJSHJXDSJ-UHFFFAOYSA-N
XLogP2.50
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.75
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-3-methoxyphenyl)-3-(ethylamino)propane-1-sulfonamide
CID 106087751
N-(4-amino-3-methoxyphenyl)propane-1-sulfonamide
CID 43604998
N-(3-chloro-4-ethoxyphenyl)propane-1-sulfonamide
CID 61062480
N-[4-(4-chloro-2-methoxy-5-methylanilino)phenyl]propane-1-sulfonamide
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N-[4-(3-chloro-4-methoxybenzoyl)phenyl]propane-1-sulfonamide
CID 110670204
2-chloro-N-(4-ethoxy-3-methoxyphenyl)ethanesulfonamide
CID 107650750
4-chloro-N-(3,4-dimethoxyphenyl)butane-1-sulfonamide
CID 116814830
N-(4-chloro-3-methoxyphenyl)-4-methylbenzenesulfonamide
CID 169369934
N-(3-chloro-4-methoxyphenyl)-4-(methylamino)butane-1-sulfonamide
CID 106047989
2-amino-N-(4-fluoro-3-methoxyphenyl)ethanesulfonamide
CID 114839213
3-[(4-chloro-3-methoxyphenyl)sulfamoyl-methylamino]propanoic acid
CID 107620926
N-(3-amino-4-chlorophenyl)dodecane-1-sulfonamide
CID 19070380

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-methoxyphenyl)propane-1-sulfonamide?
The IUPAC name of N-(4-chloro-3-methoxyphenyl)propane-1-sulfonamide (CID 107623369) is N-(4-chloro-3-methoxyphenyl)propane-1-sulfonamide.
What is the SMILES notation for N-(4-chloro-3-methoxyphenyl)propane-1-sulfonamide?
The canonical SMILES for N-(4-chloro-3-methoxyphenyl)propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(Cl)c(OC)c1.
What is the InChIKey of N-(4-chloro-3-methoxyphenyl)propane-1-sulfonamide?
The InChIKey is KLZNTDJSHJXDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO3S/c1-3-6-16(13,14)12-8-4-5-9(11)10(7-8)15-2/h4-5,7,12H,3,6H2,1-2H3.
What are the key properties of N-(4-chloro-3-methoxyphenyl)propane-1-sulfonamide?
N-(4-chloro-3-methoxyphenyl)propane-1-sulfonamide has a molecular weight of 263.75 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-methoxyphenyl)propane-1-sulfonamide is sourced from PubChem (CID 107623369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).