1,3-dichloro-5-propan-2-ylsulfonylbenzene

C9H10Cl2O2S — CID 22953572

IUPAC1,3-dichloro-5-propan-2-ylsulfonylbenzene
SMILESCC(C)S(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C9H10Cl2O2S/c1-6(2)14(12,13)9-4-7(10)3-8(11)5-9/h3-6H,1-2H3
InChIKeyVVYWTMSWKNXTKQ-UHFFFAOYSA-N
MW253.15 g/mol
LogP3.18
Rot. Bonds2

About 1,3-dichloro-5-propan-2-ylsulfonylbenzene

1,3-dichloro-5-propan-2-ylsulfonylbenzene (PubChem CID 22953572) has the molecular formula C9H10Cl2O2S and a molecular weight of 253.15 g/mol. Its IUPAC name is 1,3-dichloro-5-propan-2-ylsulfonylbenzene.

Molecular Properties

Compound Name1,3-dichloro-5-propan-2-ylsulfonylbenzene
PubChem CID22953572
Molecular FormulaC9H10Cl2O2S
Molecular Weight253.15 g/mol
Exact Mass251.98
IUPAC Name1,3-dichloro-5-propan-2-ylsulfonylbenzene
SMILESCC(C)S(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C9H10Cl2O2S/c1-6(2)14(12,13)9-4-7(10)3-8(11)5-9/h3-6H,1-2H3
InChIKeyVVYWTMSWKNXTKQ-UHFFFAOYSA-N
XLogP3.18
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.15
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dichloro-N-(3,3-dimethylbutan-2-yl)benzenesulfonamide
CID 25042571
1,3-dichloro-5-methylsulfanylsulfonylbenzene
CID 163954802
2,4-dichloro-1-propan-2-ylsulfonylbenzene
CID 22953661
1-chloro-3-(1-chloroethylsulfonyl)benzene
CID 173357719
3,5-dichloro-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120824465
1,2-dimethyl-4-propan-2-ylsulfonylbenzene
CID 58551166
N-(3-bromo-2-methylpropyl)-3,5-dichlorobenzenesulfonamide
CID 114298130
3,5-dichloro-N-(2-cyanopropyl)-N-ethylbenzenesulfonamide
CID 47387979
1-methylsulfonyl-3-propan-2-ylsulfonylbenzene
CID 12763283
sulfurochloridic acid;1,3,5-trichlorobenzene
CID 88739685
1,3-dichloro-5-(3-methylbutan-2-yl)benzene
CID 59591228
(2S)-2-[(3,5-dichlorophenyl)sulfonylmethylamino]-3-methylbutanoic acid
CID 57014359

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-5-propan-2-ylsulfonylbenzene?
The IUPAC name of 1,3-dichloro-5-propan-2-ylsulfonylbenzene (CID 22953572) is 1,3-dichloro-5-propan-2-ylsulfonylbenzene.
What is the SMILES notation for 1,3-dichloro-5-propan-2-ylsulfonylbenzene?
The canonical SMILES for 1,3-dichloro-5-propan-2-ylsulfonylbenzene is CC(C)S(=O)(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1,3-dichloro-5-propan-2-ylsulfonylbenzene?
The InChIKey is VVYWTMSWKNXTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2O2S/c1-6(2)14(12,13)9-4-7(10)3-8(11)5-9/h3-6H,1-2H3.
What are the key properties of 1,3-dichloro-5-propan-2-ylsulfonylbenzene?
1,3-dichloro-5-propan-2-ylsulfonylbenzene has a molecular weight of 253.15 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-5-propan-2-ylsulfonylbenzene is sourced from PubChem (CID 22953572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).