4-chloro-N-[2-(dimethylamino)phenyl]butane-1-sulfonamide

C12H19ClN2O2S — CID 116815712

IUPAC4-chloro-N-[2-(dimethylamino)phenyl]butane-1-sulfonamide
SMILESCN(C)c1ccccc1NS(=O)(=O)CCCCCl
InChIInChI=1S/C12H19ClN2O2S/c1-15(2)12-8-4-3-7-11(12)14-18(16,17)10-6-5-9-13/h3-4,7-8,14H,5-6,9-10H2,1-2H3
InChIKeyBHBRHPDLNZZDPY-UHFFFAOYSA-N
MW290.82 g/mol
LogP2.51
Rot. Bonds7

About 4-chloro-N-[2-(dimethylamino)phenyl]butane-1-sulfonamide

4-chloro-N-[2-(dimethylamino)phenyl]butane-1-sulfonamide (PubChem CID 116815712) has the molecular formula C12H19ClN2O2S and a molecular weight of 290.82 g/mol. Its IUPAC name is 4-chloro-N-[2-(dimethylamino)phenyl]butane-1-sulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-(dimethylamino)phenyl]butane-1-sulfonamide
PubChem CID116815712
Molecular FormulaC12H19ClN2O2S
Molecular Weight290.82 g/mol
Exact Mass290.09
IUPAC Name4-chloro-N-[2-(dimethylamino)phenyl]butane-1-sulfonamide
SMILESCN(C)c1ccccc1NS(=O)(=O)CCCCCl
InChIInChI=1S/C12H19ClN2O2S/c1-15(2)12-8-4-3-7-11(12)14-18(16,17)10-6-5-9-13/h3-4,7-8,14H,5-6,9-10H2,1-2H3
InChIKeyBHBRHPDLNZZDPY-UHFFFAOYSA-N
XLogP2.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.82
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(cyclopropylamino)-N-[2-(dimethylamino)phenyl]butane-1-sulfonamide
CID 106005891
3-chloro-N-(2-methylsulfonylphenyl)propane-1-sulfonamide
CID 43654272
4-chloro-N-phenylbutane-1-sulfonamide
CID 116814759
3-chloro-N-(2-methoxyphenyl)propane-1-sulfonamide
CID 43653977
3-chloro-N-[4-(dimethylamino)phenyl]propane-1-sulfonamide
CID 43654481
4-chloro-N-(4-phenylphenyl)butane-1-sulfonamide
CID 116814969
4-chloro-N-quinolin-5-ylbutane-1-sulfonamide
CID 116814822
4-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]butane-1-sulfonamide
CID 116815655
4-chloro-N-[4-(methanesulfonamido)phenyl]butane-1-sulfonamide
CID 116815007
4-chloro-N-[3-[(dimethylamino)methyl]phenyl]butane-1-sulfonamide
CID 116815596
4-chloro-N-(5-chloro-2-fluorophenyl)butane-1-sulfonamide
CID 116815061
4-chloro-N-(4-methyl-3-pyridinyl)butane-1-sulfonamide
CID 116816180

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(dimethylamino)phenyl]butane-1-sulfonamide?
The IUPAC name of 4-chloro-N-[2-(dimethylamino)phenyl]butane-1-sulfonamide (CID 116815712) is 4-chloro-N-[2-(dimethylamino)phenyl]butane-1-sulfonamide.
What is the SMILES notation for 4-chloro-N-[2-(dimethylamino)phenyl]butane-1-sulfonamide?
The canonical SMILES for 4-chloro-N-[2-(dimethylamino)phenyl]butane-1-sulfonamide is CN(C)c1ccccc1NS(=O)(=O)CCCCCl.
What is the InChIKey of 4-chloro-N-[2-(dimethylamino)phenyl]butane-1-sulfonamide?
The InChIKey is BHBRHPDLNZZDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O2S/c1-15(2)12-8-4-3-7-11(12)14-18(16,17)10-6-5-9-13/h3-4,7-8,14H,5-6,9-10H2,1-2H3.
What are the key properties of 4-chloro-N-[2-(dimethylamino)phenyl]butane-1-sulfonamide?
4-chloro-N-[2-(dimethylamino)phenyl]butane-1-sulfonamide has a molecular weight of 290.82 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(dimethylamino)phenyl]butane-1-sulfonamide is sourced from PubChem (CID 116815712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).