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

C11H17ClN2O2S — CID 43654481

IUPAC3-chloro-N-[4-(dimethylamino)phenyl]propane-1-sulfonamide
SMILESCN(C)c1ccc(NS(=O)(=O)CCCCl)cc1
InChIInChI=1S/C11H17ClN2O2S/c1-14(2)11-6-4-10(5-7-11)13-17(15,16)9-3-8-12/h4-7,13H,3,8-9H2,1-2H3
InChIKeyKIJAWHHXNDAVGK-UHFFFAOYSA-N
MW276.79 g/mol
LogP2.12
Rot. Bonds6

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

3-chloro-N-[4-(dimethylamino)phenyl]propane-1-sulfonamide (PubChem CID 43654481) has the molecular formula C11H17ClN2O2S and a molecular weight of 276.79 g/mol. Its IUPAC name is 3-chloro-N-[4-(dimethylamino)phenyl]propane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-[4-(dimethylamino)phenyl]propane-1-sulfonamide
PubChem CID43654481
Molecular FormulaC11H17ClN2O2S
Molecular Weight276.79 g/mol
Exact Mass276.07
IUPAC Name3-chloro-N-[4-(dimethylamino)phenyl]propane-1-sulfonamide
SMILESCN(C)c1ccc(NS(=O)(=O)CCCCl)cc1
InChIInChI=1S/C11H17ClN2O2S/c1-14(2)11-6-4-10(5-7-11)13-17(15,16)9-3-8-12/h4-7,13H,3,8-9H2,1-2H3
InChIKeyKIJAWHHXNDAVGK-UHFFFAOYSA-N
XLogP2.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.79
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[4-(methanesulfonamido)phenyl]butane-1-sulfonamide
CID 116815007
4-chloro-N-phenylbutane-1-sulfonamide
CID 116814759
4-chloro-N-[4-(2-methoxyethoxy)phenyl]butane-1-sulfonamide
CID 116815790
4-chloro-N-(4-phenylphenyl)butane-1-sulfonamide
CID 116814969
4-(4-chlorobutylsulfonylamino)benzenesulfonamide
CID 3018484
N-(4-butan-2-ylphenyl)-3-chloropropane-1-sulfonamide
CID 54877159
3-chloro-N-(4-pentylphenyl)propane-1-sulfonamide
CID 61250073
N-[4-(dimethylamino)phenyl]sulfamoyl chloride
CID 84760640
3-chloro-N-[6-(diethylamino)-3-pyridinyl]propane-1-sulfonamide
CID 54877697
4-chloro-N-[2-(dimethylamino)phenyl]butane-1-sulfonamide
CID 116815712
N-[4-(dipropylamino)phenyl]propane-1-sulfonamide
CID 112985658
propan-2-yl 4-(3-chloropropylsulfonylamino)benzoate
CID 43654361

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-(dimethylamino)phenyl]propane-1-sulfonamide?
The IUPAC name of 3-chloro-N-[4-(dimethylamino)phenyl]propane-1-sulfonamide (CID 43654481) is 3-chloro-N-[4-(dimethylamino)phenyl]propane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-[4-(dimethylamino)phenyl]propane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-[4-(dimethylamino)phenyl]propane-1-sulfonamide is CN(C)c1ccc(NS(=O)(=O)CCCCl)cc1.
What is the InChIKey of 3-chloro-N-[4-(dimethylamino)phenyl]propane-1-sulfonamide?
The InChIKey is KIJAWHHXNDAVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O2S/c1-14(2)11-6-4-10(5-7-11)13-17(15,16)9-3-8-12/h4-7,13H,3,8-9H2,1-2H3.
What are the key properties of 3-chloro-N-[4-(dimethylamino)phenyl]propane-1-sulfonamide?
3-chloro-N-[4-(dimethylamino)phenyl]propane-1-sulfonamide has a molecular weight of 276.79 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-(dimethylamino)phenyl]propane-1-sulfonamide is sourced from PubChem (CID 43654481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).