2-chloro-N-(1,1-difluoropropan-2-yl)-5-methylsulfonylaniline

C10H12ClF2NO2S — CID 102868375

IUPAC2-chloro-N-(1,1-difluoropropan-2-yl)-5-methylsulfonylaniline
SMILESCC(Nc1cc(S(C)(=O)=O)ccc1Cl)C(F)F
InChIInChI=1S/C10H12ClF2NO2S/c1-6(10(12)13)14-9-5-7(17(2,15)16)3-4-8(9)11/h3-6,10,14H,1-2H3
InChIKeyMTTKMIITQXCUIL-UHFFFAOYSA-N
MW283.73 g/mol
LogP2.81
Rot. Bonds4

About 2-chloro-N-(1,1-difluoropropan-2-yl)-5-methylsulfonylaniline

2-chloro-N-(1,1-difluoropropan-2-yl)-5-methylsulfonylaniline (PubChem CID 102868375) has the molecular formula C10H12ClF2NO2S and a molecular weight of 283.73 g/mol. Its IUPAC name is 2-chloro-N-(1,1-difluoropropan-2-yl)-5-methylsulfonylaniline.

Molecular Properties

Compound Name2-chloro-N-(1,1-difluoropropan-2-yl)-5-methylsulfonylaniline
PubChem CID102868375
Molecular FormulaC10H12ClF2NO2S
Molecular Weight283.73 g/mol
Exact Mass283.02
IUPAC Name2-chloro-N-(1,1-difluoropropan-2-yl)-5-methylsulfonylaniline
SMILESCC(Nc1cc(S(C)(=O)=O)ccc1Cl)C(F)F
InChIInChI=1S/C10H12ClF2NO2S/c1-6(10(12)13)14-9-5-7(17(2,15)16)3-4-8(9)11/h3-6,10,14H,1-2H3
InChIKeyMTTKMIITQXCUIL-UHFFFAOYSA-N
XLogP2.81
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.73
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-5-methylsulfonylphenyl)-2,2-difluoroacetamide
CID 113218224
N-(1,1-difluoropropan-2-yl)-4-methylsulfonylaniline
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2-chloro-N-(2-methylbutyl)-5-methylsulfonylaniline
CID 43682056
2-chloro-N-[1-(3-methylphenyl)ethyl]-5-methylsulfonylaniline
CID 43780658
2-chloro-5-methylsulfonyl-N-nonan-2-ylaniline
CID 43682127
2-fluoro-N-(3-methylbutan-2-yl)-5-methylsulfonylaniline
CID 43717671
2-chloro-N-(1,1-difluoropropan-2-yl)-5-methoxyaniline
CID 102869387
2-bromo-N-(2-chloro-5-methylsulfonylphenyl)propanamide
CID 107902980
3-amino-N-(2-chloro-5-methylsulfonylphenyl)butanamide
CID 54924414
2-chloro-5-methylsulfonyl-N-(3-propan-2-ylcyclobutyl)aniline
CID 103561157
4-amino-N-(2-chloro-5-methylsulfonylphenyl)-3-methylbutanamide
CID 81076001
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CID 63426890

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1,1-difluoropropan-2-yl)-5-methylsulfonylaniline?
The IUPAC name of 2-chloro-N-(1,1-difluoropropan-2-yl)-5-methylsulfonylaniline (CID 102868375) is 2-chloro-N-(1,1-difluoropropan-2-yl)-5-methylsulfonylaniline.
What is the SMILES notation for 2-chloro-N-(1,1-difluoropropan-2-yl)-5-methylsulfonylaniline?
The canonical SMILES for 2-chloro-N-(1,1-difluoropropan-2-yl)-5-methylsulfonylaniline is CC(Nc1cc(S(C)(=O)=O)ccc1Cl)C(F)F.
What is the InChIKey of 2-chloro-N-(1,1-difluoropropan-2-yl)-5-methylsulfonylaniline?
The InChIKey is MTTKMIITQXCUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF2NO2S/c1-6(10(12)13)14-9-5-7(17(2,15)16)3-4-8(9)11/h3-6,10,14H,1-2H3.
What are the key properties of 2-chloro-N-(1,1-difluoropropan-2-yl)-5-methylsulfonylaniline?
2-chloro-N-(1,1-difluoropropan-2-yl)-5-methylsulfonylaniline has a molecular weight of 283.73 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1,1-difluoropropan-2-yl)-5-methylsulfonylaniline is sourced from PubChem (CID 102868375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).