4-chloro-N-phenylbutane-1-sulfonamide

C10H14ClNO2S — CID 116814759

IUPAC4-chloro-N-phenylbutane-1-sulfonamide
SMILESO=S(=O)(CCCCCl)Nc1ccccc1
InChIInChI=1S/C10H14ClNO2S/c11-8-4-5-9-15(13,14)12-10-6-2-1-3-7-10/h1-3,6-7,12H,4-5,8-9H2
InChIKeyPFRVKSAPVQLVQS-UHFFFAOYSA-N
MW247.75 g/mol
LogP2.45
Rot. Bonds6

About 4-chloro-N-phenylbutane-1-sulfonamide

4-chloro-N-phenylbutane-1-sulfonamide (PubChem CID 116814759) has the molecular formula C10H14ClNO2S and a molecular weight of 247.75 g/mol. Its IUPAC name is 4-chloro-N-phenylbutane-1-sulfonamide.

Molecular Properties

Compound Name4-chloro-N-phenylbutane-1-sulfonamide
PubChem CID116814759
Molecular FormulaC10H14ClNO2S
Molecular Weight247.75 g/mol
Exact Mass247.04
IUPAC Name4-chloro-N-phenylbutane-1-sulfonamide
SMILESO=S(=O)(CCCCCl)Nc1ccccc1
InChIInChI=1S/C10H14ClNO2S/c11-8-4-5-9-15(13,14)12-10-6-2-1-3-7-10/h1-3,6-7,12H,4-5,8-9H2
InChIKeyPFRVKSAPVQLVQS-UHFFFAOYSA-N
XLogP2.45
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.75
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-(4-phenylphenyl)butane-1-sulfonamide
CID 116814969
4-chloro-N-[4-(methanesulfonamido)phenyl]butane-1-sulfonamide
CID 116815007
4-chloro-N-(3-methylphenyl)butane-1-sulfonamide
CID 116815142
4-(4-chlorobutylsulfonylamino)benzenesulfonamide
CID 3018484
3-bromo-N-phenylpropane-1-sulfonamide
CID 118418114
4-chloro-N-(3-methylsulfanylphenyl)butane-1-sulfonamide
CID 116814788
3-chloro-N-[4-(dimethylamino)phenyl]propane-1-sulfonamide
CID 43654481
N-(3-acetylphenyl)-4-chlorobutane-1-sulfonamide
CID 116814959
4-chloro-N-(3,4,5-trifluorophenyl)butane-1-sulfonamide
CID 116816137
N-benzyl-4-chlorobutane-1-sulfonamide
CID 116814854
4-chloro-N-[3-[(dimethylamino)methyl]phenyl]butane-1-sulfonamide
CID 116815596
N-[3-(4-chlorobutylsulfonylamino)phenyl]propanamide
CID 116815957

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-phenylbutane-1-sulfonamide?
The IUPAC name of 4-chloro-N-phenylbutane-1-sulfonamide (CID 116814759) is 4-chloro-N-phenylbutane-1-sulfonamide.
What is the SMILES notation for 4-chloro-N-phenylbutane-1-sulfonamide?
The canonical SMILES for 4-chloro-N-phenylbutane-1-sulfonamide is O=S(=O)(CCCCCl)Nc1ccccc1.
What is the InChIKey of 4-chloro-N-phenylbutane-1-sulfonamide?
The InChIKey is PFRVKSAPVQLVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2S/c11-8-4-5-9-15(13,14)12-10-6-2-1-3-7-10/h1-3,6-7,12H,4-5,8-9H2.
What are the key properties of 4-chloro-N-phenylbutane-1-sulfonamide?
4-chloro-N-phenylbutane-1-sulfonamide has a molecular weight of 247.75 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-phenylbutane-1-sulfonamide is sourced from PubChem (CID 116814759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).