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

C11H17NO4S2 — CID 110779460

IUPACN-(3-methylsulfonylphenyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C11H17NO4S2/c1-3-4-8-18(15,16)12-10-6-5-7-11(9-10)17(2,13)14/h5-7,9,12H,3-4,8H2,1-2H3
InChIKeyAXJULBJDRWRXBC-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.63
Rot. Bonds6

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

N-(3-methylsulfonylphenyl)butane-1-sulfonamide (PubChem CID 110779460) has the molecular formula C11H17NO4S2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-(3-methylsulfonylphenyl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-methylsulfonylphenyl)butane-1-sulfonamide
PubChem CID110779460
Molecular FormulaC11H17NO4S2
Molecular Weight291.39 g/mol
Exact Mass291.06
IUPAC NameN-(3-methylsulfonylphenyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C11H17NO4S2/c1-3-4-8-18(15,16)12-10-6-5-7-11(9-10)17(2,13)14/h5-7,9,12H,3-4,8H2,1-2H3
InChIKeyAXJULBJDRWRXBC-UHFFFAOYSA-N
XLogP1.63
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-methylsulfonylphenyl)butane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-aminophenyl)butane-1-sulfonamide
CID 16778445
N-(3-formylphenyl)butane-1-sulfonamide
CID 87474452
N-[3-[1-(ethylamino)ethyl]phenyl]butane-1-sulfonamide
CID 43508144
3-(2-methylsulfonylethylsulfonylamino)benzenesulfonamide
CID 63243241
1-(3-methylphenyl)-N-(3-methylsulfonylphenyl)methanesulfonamide
CID 110779468
N-(3-methoxyphenyl)nonane-1-sulfonamide
CID 43833954
N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]octane-1-sulfonamide
CID 6075879
N-[3-(pyrazol-1-ylmethyl)phenyl]butane-1-sulfonamide
CID 22205844
3-(octylsulfonylamino)benzoic acid
CID 152726076
N-[4-(3-fluoroanilino)phenyl]butane-1-sulfonamide
CID 112988982
N-[4-(3-chloroanilino)phenyl]butane-1-sulfonamide
CID 112986998
N-(3-methylsulfonylphenyl)butanamide
CID 37391541

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfonylphenyl)butane-1-sulfonamide?
The IUPAC name of N-(3-methylsulfonylphenyl)butane-1-sulfonamide (CID 110779460) is N-(3-methylsulfonylphenyl)butane-1-sulfonamide.
What is the SMILES notation for N-(3-methylsulfonylphenyl)butane-1-sulfonamide?
The canonical SMILES for N-(3-methylsulfonylphenyl)butane-1-sulfonamide is CCCCS(=O)(=O)Nc1cccc(S(C)(=O)=O)c1.
What is the InChIKey of N-(3-methylsulfonylphenyl)butane-1-sulfonamide?
The InChIKey is AXJULBJDRWRXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4S2/c1-3-4-8-18(15,16)12-10-6-5-7-11(9-10)17(2,13)14/h5-7,9,12H,3-4,8H2,1-2H3.
What are the key properties of N-(3-methylsulfonylphenyl)butane-1-sulfonamide?
N-(3-methylsulfonylphenyl)butane-1-sulfonamide has a molecular weight of 291.39 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfonylphenyl)butane-1-sulfonamide is sourced from PubChem (CID 110779460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).