1-(3,4-dichlorophenyl)propane-1-sulfonamide

C9H11Cl2NO2S — CID 62085630

IUPAC1-(3,4-dichlorophenyl)propane-1-sulfonamide
SMILESCCC(c1ccc(Cl)c(Cl)c1)S(N)(=O)=O
InChIInChI=1S/C9H11Cl2NO2S/c1-2-9(15(12,13)14)6-3-4-7(10)8(11)5-6/h3-5,9H,2H2,1H3,(H2,12,13,14)
InChIKeyOBOCHTBQHIGHGS-UHFFFAOYSA-N
MW268.17 g/mol
LogP2.73
Rot. Bonds3

About 1-(3,4-dichlorophenyl)propane-1-sulfonamide

1-(3,4-dichlorophenyl)propane-1-sulfonamide (PubChem CID 62085630) has the molecular formula C9H11Cl2NO2S and a molecular weight of 268.17 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)propane-1-sulfonamide.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)propane-1-sulfonamide
PubChem CID62085630
Molecular FormulaC9H11Cl2NO2S
Molecular Weight268.17 g/mol
Exact Mass266.99
IUPAC Name1-(3,4-dichlorophenyl)propane-1-sulfonamide
SMILESCCC(c1ccc(Cl)c(Cl)c1)S(N)(=O)=O
InChIInChI=1S/C9H11Cl2NO2S/c1-2-9(15(12,13)14)6-3-4-7(10)8(11)5-6/h3-5,9H,2H2,1H3,(H2,12,13,14)
InChIKeyOBOCHTBQHIGHGS-UHFFFAOYSA-N
XLogP2.73
TPSA60.16 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 ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dichlorophenyl)propane-1-sulfonyl chloride
CID 62084023
4-[(2R)-butan-2-yl]-1,2-dichlorobenzene
CID 118120399
4-butan-2-yl-1,2-dichlorobenzene
CID 22095706
1-(3,4-dichlorophenyl)-N-methylpropan-1-amine
CID 43486460
1,2-dichloro-4-[1-(sulfamoylamino)ethyl]benzene
CID 112684116
1-(3,4-dichlorophenyl)-N-propan-2-ylpropan-1-amine
CID 43756202
2-[1-(3,4-dichlorophenyl)propylamino]acetamide
CID 43754703
1,2-dichloro-4-(1-chloro-2-ethylbutyl)benzene
CID 63436363
(1S)-1-(3,4-dichlorophenyl)-2-methylbutan-1-amine;hydrochloride
CID 171220910
(2R)-1-(3,4-dichlorophenyl)butane-1,2-diol
CID 140978275
(3,4-dichlorophenyl)-(3,4-diethylphenyl)methanamine
CID 115481980
N'-[1-(3,4-dichlorophenyl)propyl]propane-1,3-diamine
CID 60888195

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)propane-1-sulfonamide?
The IUPAC name of 1-(3,4-dichlorophenyl)propane-1-sulfonamide (CID 62085630) is 1-(3,4-dichlorophenyl)propane-1-sulfonamide.
What is the SMILES notation for 1-(3,4-dichlorophenyl)propane-1-sulfonamide?
The canonical SMILES for 1-(3,4-dichlorophenyl)propane-1-sulfonamide is CCC(c1ccc(Cl)c(Cl)c1)S(N)(=O)=O.
What is the InChIKey of 1-(3,4-dichlorophenyl)propane-1-sulfonamide?
The InChIKey is OBOCHTBQHIGHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2NO2S/c1-2-9(15(12,13)14)6-3-4-7(10)8(11)5-6/h3-5,9H,2H2,1H3,(H2,12,13,14).
What are the key properties of 1-(3,4-dichlorophenyl)propane-1-sulfonamide?
1-(3,4-dichlorophenyl)propane-1-sulfonamide has a molecular weight of 268.17 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)propane-1-sulfonamide is sourced from PubChem (CID 62085630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).