N-[4-(3-chloro-4-methoxybenzoyl)phenyl]propane-1-sulfonamide

C17H18ClNO4S — CID 110670204

IUPACN-[4-(3-chloro-4-methoxybenzoyl)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(C(=O)c2ccc(OC)c(Cl)c2)cc1
InChIInChI=1S/C17H18ClNO4S/c1-3-10-24(21,22)19-14-7-4-12(5-8-14)17(20)13-6-9-16(23-2)15(18)11-13/h4-9,11,19H,3,10H2,1-2H3
InChIKeyWXGMCEQWSPTEAF-UHFFFAOYSA-N
MW367.85 g/mol
LogP3.73
Rot. Bonds7

About N-[4-(3-chloro-4-methoxybenzoyl)phenyl]propane-1-sulfonamide

N-[4-(3-chloro-4-methoxybenzoyl)phenyl]propane-1-sulfonamide (PubChem CID 110670204) has the molecular formula C17H18ClNO4S and a molecular weight of 367.85 g/mol. Its IUPAC name is N-[4-(3-chloro-4-methoxybenzoyl)phenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[4-(3-chloro-4-methoxybenzoyl)phenyl]propane-1-sulfonamide
PubChem CID110670204
Molecular FormulaC17H18ClNO4S
Molecular Weight367.85 g/mol
Exact Mass367.06
IUPAC NameN-[4-(3-chloro-4-methoxybenzoyl)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(C(=O)c2ccc(OC)c(Cl)c2)cc1
InChIInChI=1S/C17H18ClNO4S/c1-3-10-24(21,22)19-14-7-4-12(5-8-14)17(20)13-6-9-16(23-2)15(18)11-13/h4-9,11,19H,3,10H2,1-2H3
InChIKeyWXGMCEQWSPTEAF-UHFFFAOYSA-N
XLogP3.73
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.85
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-3-methoxyphenyl)propane-1-sulfonamide
CID 107623369
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N-(3-chloro-4-ethoxyphenyl)propane-1-sulfonamide
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N-[4-(3-chloropropanoyl)phenyl]propane-1-sulfonamide
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CID 19855934
N-(3-chloro-4-methoxyphenyl)-4-(methylamino)butane-1-sulfonamide
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N-(4-benzoylphenyl)butane-1-sulfonamide
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2-(3-chloro-4-methoxyanilino)-1-(3-chloro-4-methoxyphenyl)ethanone
CID 110823882
1-(4-benzoylphenyl)-3-(3-chloro-4-methoxyphenyl)urea
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CID 43604998

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-chloro-4-methoxybenzoyl)phenyl]propane-1-sulfonamide?
The IUPAC name of N-[4-(3-chloro-4-methoxybenzoyl)phenyl]propane-1-sulfonamide (CID 110670204) is N-[4-(3-chloro-4-methoxybenzoyl)phenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[4-(3-chloro-4-methoxybenzoyl)phenyl]propane-1-sulfonamide?
The canonical SMILES for N-[4-(3-chloro-4-methoxybenzoyl)phenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(C(=O)c2ccc(OC)c(Cl)c2)cc1.
What is the InChIKey of N-[4-(3-chloro-4-methoxybenzoyl)phenyl]propane-1-sulfonamide?
The InChIKey is WXGMCEQWSPTEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO4S/c1-3-10-24(21,22)19-14-7-4-12(5-8-14)17(20)13-6-9-16(23-2)15(18)11-13/h4-9,11,19H,3,10H2,1-2H3.
What are the key properties of N-[4-(3-chloro-4-methoxybenzoyl)phenyl]propane-1-sulfonamide?
N-[4-(3-chloro-4-methoxybenzoyl)phenyl]propane-1-sulfonamide has a molecular weight of 367.85 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-chloro-4-methoxybenzoyl)phenyl]propane-1-sulfonamide is sourced from PubChem (CID 110670204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).