5-chloro-2,4-di(propan-2-yl)benzenesulfonamide

C12H18ClNO2S — CID 21491933

IUPAC5-chloro-2,4-di(propan-2-yl)benzenesulfonamide
SMILESCC(C)c1cc(C(C)C)c(S(N)(=O)=O)cc1Cl
InChIInChI=1S/C12H18ClNO2S/c1-7(2)9-5-10(8(3)4)12(6-11(9)13)17(14,15)16/h5-8H,1-4H3,(H2,14,15,16)
InChIKeyUWVDHILXWIGASQ-UHFFFAOYSA-N
MW275.80 g/mol
LogP3.23
Rot. Bonds3

About 5-chloro-2,4-di(propan-2-yl)benzenesulfonamide

5-chloro-2,4-di(propan-2-yl)benzenesulfonamide (PubChem CID 21491933) has the molecular formula C12H18ClNO2S and a molecular weight of 275.80 g/mol. Its IUPAC name is 5-chloro-2,4-di(propan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2,4-di(propan-2-yl)benzenesulfonamide
PubChem CID21491933
Molecular FormulaC12H18ClNO2S
Molecular Weight275.80 g/mol
Exact Mass275.07
IUPAC Name5-chloro-2,4-di(propan-2-yl)benzenesulfonamide
SMILESCC(C)c1cc(C(C)C)c(S(N)(=O)=O)cc1Cl
InChIInChI=1S/C12H18ClNO2S/c1-7(2)9-5-10(8(3)4)12(6-11(9)13)17(14,15)16/h5-8H,1-4H3,(H2,14,15,16)
InChIKeyUWVDHILXWIGASQ-UHFFFAOYSA-N
XLogP3.23
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.80
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-2,5-di(propan-2-yl)benzenesulfonamide
CID 21492069
2,5-dichloro-4-methylbenzenesulfonamide
CID 104727916
2-methyl-5-propan-2-yl-4-propan-2-yloxybenzenesulfonamide
CID 43164355
4-chloro-3-propan-2-ylbenzenesulfonyl chloride
CID 58268238
2-amino-3-propan-2-ylbenzenesulfonamide
CID 67063379
dimethyl 4,6-di(propan-2-yl)benzene-1,3-disulfonate
CID 135297196
2-(2-methyl-5-propan-2-yl-4-sulfamoylphenoxy)acetic acid
CID 81005006
4-[(E)-but-2-enoxy]-5-methyl-2-propan-2-ylbenzenesulfonamide
CID 82919148
5-chloro-4-ethoxy-2-methylbenzenesulfonamide
CID 82297288
4-butan-2-yloxy-2-methyl-5-propan-2-ylbenzenesulfonamide
CID 43342313
4-chloro-N-(4-propan-2-ylphenyl)-3-sulfamoylbenzamide
CID 24641042
N-(4,5-dichloro-2-sulfamoylphenyl)acetamide
CID 154352075

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,4-di(propan-2-yl)benzenesulfonamide?
The IUPAC name of 5-chloro-2,4-di(propan-2-yl)benzenesulfonamide (CID 21491933) is 5-chloro-2,4-di(propan-2-yl)benzenesulfonamide.
What is the SMILES notation for 5-chloro-2,4-di(propan-2-yl)benzenesulfonamide?
The canonical SMILES for 5-chloro-2,4-di(propan-2-yl)benzenesulfonamide is CC(C)c1cc(C(C)C)c(S(N)(=O)=O)cc1Cl.
What is the InChIKey of 5-chloro-2,4-di(propan-2-yl)benzenesulfonamide?
The InChIKey is UWVDHILXWIGASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO2S/c1-7(2)9-5-10(8(3)4)12(6-11(9)13)17(14,15)16/h5-8H,1-4H3,(H2,14,15,16).
What are the key properties of 5-chloro-2,4-di(propan-2-yl)benzenesulfonamide?
5-chloro-2,4-di(propan-2-yl)benzenesulfonamide has a molecular weight of 275.80 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,4-di(propan-2-yl)benzenesulfonamide is sourced from PubChem (CID 21491933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).