N-(3-formylphenyl)butane-1-sulfonamide

C11H15NO3S — CID 87474452

IUPACN-(3-formylphenyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1cccc(C=O)c1
InChIInChI=1S/C11H15NO3S/c1-2-3-7-16(14,15)12-11-6-4-5-10(8-11)9-13/h4-6,8-9,12H,2-3,7H2,1H3
InChIKeyOXANLMCQKCEPFV-UHFFFAOYSA-N
MW241.31 g/mol
LogP2.04
Rot. Bonds6

About N-(3-formylphenyl)butane-1-sulfonamide

N-(3-formylphenyl)butane-1-sulfonamide (PubChem CID 87474452) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is N-(3-formylphenyl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-formylphenyl)butane-1-sulfonamide
PubChem CID87474452
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC NameN-(3-formylphenyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1cccc(C=O)c1
InChIInChI=1S/C11H15NO3S/c1-2-3-7-16(14,15)12-11-6-4-5-10(8-11)9-13/h4-6,8-9,12H,2-3,7H2,1H3
InChIKeyOXANLMCQKCEPFV-UHFFFAOYSA-N
XLogP2.04
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[(3-formylphenyl)sulfamoyl]butanoate
CID 106913005
N-(3-aminophenyl)butane-1-sulfonamide
CID 16778445
N-(3-methylsulfonylphenyl)butane-1-sulfonamide
CID 110779460
methyl 2-[(3-formylphenyl)sulfamoyl]acetate
CID 106913056
(E)-3-[3-(propylsulfonylamino)phenyl]prop-2-enoic acid
CID 78971626
N-[4-(3-fluoroanilino)phenyl]butane-1-sulfonamide
CID 112988982
N-[4-(3-chloroanilino)phenyl]butane-1-sulfonamide
CID 112986998
N-[3-[1-(ethylamino)ethyl]phenyl]butane-1-sulfonamide
CID 43508144
N-(3-methoxyphenyl)nonane-1-sulfonamide
CID 43833954
N-[3-(pyrazol-1-ylmethyl)phenyl]butane-1-sulfonamide
CID 22205844
3-(octylsulfonylamino)benzoic acid
CID 152726076
oxathiaziridine;bis(N-phenylbutane-1-sulfonamide)
CID 175405925

Frequently Asked Questions

What is the IUPAC name of N-(3-formylphenyl)butane-1-sulfonamide?
The IUPAC name of N-(3-formylphenyl)butane-1-sulfonamide (CID 87474452) is N-(3-formylphenyl)butane-1-sulfonamide.
What is the SMILES notation for N-(3-formylphenyl)butane-1-sulfonamide?
The canonical SMILES for N-(3-formylphenyl)butane-1-sulfonamide is CCCCS(=O)(=O)Nc1cccc(C=O)c1.
What is the InChIKey of N-(3-formylphenyl)butane-1-sulfonamide?
The InChIKey is OXANLMCQKCEPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-2-3-7-16(14,15)12-11-6-4-5-10(8-11)9-13/h4-6,8-9,12H,2-3,7H2,1H3.
What are the key properties of N-(3-formylphenyl)butane-1-sulfonamide?
N-(3-formylphenyl)butane-1-sulfonamide has a molecular weight of 241.31 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-formylphenyl)butane-1-sulfonamide is sourced from PubChem (CID 87474452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).