3-chloro-N-(2-methylsulfonylphenyl)propane-1-sulfonamide

C10H14ClNO4S2 — CID 43654272

IUPAC3-chloro-N-(2-methylsulfonylphenyl)propane-1-sulfonamide
SMILESCS(=O)(=O)c1ccccc1NS(=O)(=O)CCCCl
InChIInChI=1S/C10H14ClNO4S2/c1-17(13,14)10-6-3-2-5-9(10)12-18(15,16)8-4-7-11/h2-3,5-6,12H,4,7-8H2,1H3
InChIKeyRTFUMICHPWCIMR-UHFFFAOYSA-N
MW311.81 g/mol
LogP1.46
Rot. Bonds6

About 3-chloro-N-(2-methylsulfonylphenyl)propane-1-sulfonamide

3-chloro-N-(2-methylsulfonylphenyl)propane-1-sulfonamide (PubChem CID 43654272) has the molecular formula C10H14ClNO4S2 and a molecular weight of 311.81 g/mol. Its IUPAC name is 3-chloro-N-(2-methylsulfonylphenyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-(2-methylsulfonylphenyl)propane-1-sulfonamide
PubChem CID43654272
Molecular FormulaC10H14ClNO4S2
Molecular Weight311.81 g/mol
Exact Mass311.01
IUPAC Name3-chloro-N-(2-methylsulfonylphenyl)propane-1-sulfonamide
SMILESCS(=O)(=O)c1ccccc1NS(=O)(=O)CCCCl
InChIInChI=1S/C10H14ClNO4S2/c1-17(13,14)10-6-3-2-5-9(10)12-18(15,16)8-4-7-11/h2-3,5-6,12H,4,7-8H2,1H3
InChIKeyRTFUMICHPWCIMR-UHFFFAOYSA-N
XLogP1.46
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-(2-methoxyphenyl)propane-1-sulfonamide
CID 43653977
3-[(2-methylsulfonylphenyl)sulfamoyl]propanoic acid
CID 43361847
1-bromo-N-(2-methylsulfonylphenyl)methanesulfonamide
CID 83084505
4-chloro-N-[2-(dimethylamino)phenyl]butane-1-sulfonamide
CID 116815712
3-(3-chloropropylsulfonylamino)-2-methylbenzoic acid
CID 54877288
3-chloro-N-[2-(difluoromethoxy)phenyl]propane-1-sulfonamide
CID 43654163
3-chloro-N-(2-piperidin-1-ylphenyl)propane-1-sulfonamide
CID 43654348
3-chloro-N-(3-hydroxy-2,4-dimethylphenyl)propane-1-sulfonamide
CID 54877724
N-[2-(methanesulfonamido)phenyl]butane-1-sulfonamide
CID 113093433
3-chloro-N-(2,4-dimethylphenyl)propane-1-sulfonamide
CID 43654466
N-butan-2-yl-2-(3-chloropropylsulfonylamino)benzamide
CID 43653866
4-chloro-N-phenylbutane-1-sulfonamide
CID 116814759

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-methylsulfonylphenyl)propane-1-sulfonamide?
The IUPAC name of 3-chloro-N-(2-methylsulfonylphenyl)propane-1-sulfonamide (CID 43654272) is 3-chloro-N-(2-methylsulfonylphenyl)propane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-(2-methylsulfonylphenyl)propane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-(2-methylsulfonylphenyl)propane-1-sulfonamide is CS(=O)(=O)c1ccccc1NS(=O)(=O)CCCCl.
What is the InChIKey of 3-chloro-N-(2-methylsulfonylphenyl)propane-1-sulfonamide?
The InChIKey is RTFUMICHPWCIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO4S2/c1-17(13,14)10-6-3-2-5-9(10)12-18(15,16)8-4-7-11/h2-3,5-6,12H,4,7-8H2,1H3.
What are the key properties of 3-chloro-N-(2-methylsulfonylphenyl)propane-1-sulfonamide?
3-chloro-N-(2-methylsulfonylphenyl)propane-1-sulfonamide has a molecular weight of 311.81 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-methylsulfonylphenyl)propane-1-sulfonamide is sourced from PubChem (CID 43654272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).