N-(2,5-dichlorophenyl)propane-2-sulfonamide

C9H11Cl2NO2S — CID 62999639

IUPACN-(2,5-dichlorophenyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C9H11Cl2NO2S/c1-6(2)15(13,14)12-9-5-7(10)3-4-8(9)11/h3-6,12H,1-2H3
InChIKeySPIYKKIIXSTDQC-UHFFFAOYSA-N
MW268.17 g/mol
LogP3.14
Rot. Bonds3

About N-(2,5-dichlorophenyl)propane-2-sulfonamide

N-(2,5-dichlorophenyl)propane-2-sulfonamide (PubChem CID 62999639) has the molecular formula C9H11Cl2NO2S and a molecular weight of 268.17 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)propane-2-sulfonamide
PubChem CID62999639
Molecular FormulaC9H11Cl2NO2S
Molecular Weight268.17 g/mol
Exact Mass266.99
IUPAC NameN-(2,5-dichlorophenyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C9H11Cl2NO2S/c1-6(2)15(13,14)12-9-5-7(10)3-4-8(9)11/h3-6,12H,1-2H3
InChIKeySPIYKKIIXSTDQC-UHFFFAOYSA-N
XLogP3.14
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.17
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-chloro-5-(methanesulfonamido)phenyl]propane-2-sulfonamide
CID 62999677
N-(3,4-dichlorophenyl)propane-2-sulfonamide
CID 62999267
N-(2,5-dichlorophenyl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106037094
N-(2,5-dichlorophenyl)-4-(methylamino)benzenesulfonamide
CID 43332038
1-(4-chlorophenyl)-N-(2,5-dichlorophenyl)methanesulfonamide
CID 18891286
4-amino-N-(2,5-dichlorophenyl)benzenesulfonamide
CID 28590083
3-amino-N-(2,5-dichlorophenyl)-2,4-difluorobenzenesulfonamide
CID 107343077
5-bromo-N-(2,5-dichlorophenyl)-2-methylbenzenesulfonamide
CID 60661381
N-[5-[(2,5-dichlorophenyl)sulfamoyl]-2-methylsulfanylphenyl]acetamide
CID 100574955
N-[4-[(5-chloro-2-methoxyanilino)methyl]phenyl]propane-2-sulfonamide
CID 70939150
N-[2-chloro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]phenyl]propane-2-sulfonamide
CID 19604913
N-(2-bromo-5-chlorophenyl)-2-methylpropane-1-sulfonamide
CID 81273468

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)propane-2-sulfonamide?
The IUPAC name of N-(2,5-dichlorophenyl)propane-2-sulfonamide (CID 62999639) is N-(2,5-dichlorophenyl)propane-2-sulfonamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)propane-2-sulfonamide?
The canonical SMILES for N-(2,5-dichlorophenyl)propane-2-sulfonamide is CC(C)S(=O)(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of N-(2,5-dichlorophenyl)propane-2-sulfonamide?
The InChIKey is SPIYKKIIXSTDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2NO2S/c1-6(2)15(13,14)12-9-5-7(10)3-4-8(9)11/h3-6,12H,1-2H3.
What are the key properties of N-(2,5-dichlorophenyl)propane-2-sulfonamide?
N-(2,5-dichlorophenyl)propane-2-sulfonamide has a molecular weight of 268.17 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)propane-2-sulfonamide is sourced from PubChem (CID 62999639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).