4-chloro-N-(2-propylsulfonylethyl)aniline

C11H16ClNO2S — CID 106513312

IUPAC4-chloro-N-(2-propylsulfonylethyl)aniline
SMILESCCCS(=O)(=O)CCNc1ccc(Cl)cc1
InChIInChI=1S/C11H16ClNO2S/c1-2-8-16(14,15)9-7-13-11-5-3-10(12)4-6-11/h3-6,13H,2,7-9H2,1H3
InChIKeyMIJQFNMKRKOJEO-UHFFFAOYSA-N
MW261.77 g/mol
LogP2.58
Rot. Bonds6

About 4-chloro-N-(2-propylsulfonylethyl)aniline

4-chloro-N-(2-propylsulfonylethyl)aniline (PubChem CID 106513312) has the molecular formula C11H16ClNO2S and a molecular weight of 261.77 g/mol. Its IUPAC name is 4-chloro-N-(2-propylsulfonylethyl)aniline.

Molecular Properties

Compound Name4-chloro-N-(2-propylsulfonylethyl)aniline
PubChem CID106513312
Molecular FormulaC11H16ClNO2S
Molecular Weight261.77 g/mol
Exact Mass261.06
IUPAC Name4-chloro-N-(2-propylsulfonylethyl)aniline
SMILESCCCS(=O)(=O)CCNc1ccc(Cl)cc1
InChIInChI=1S/C11H16ClNO2S/c1-2-8-16(14,15)9-7-13-11-5-3-10(12)4-6-11/h3-6,13H,2,7-9H2,1H3
InChIKeyMIJQFNMKRKOJEO-UHFFFAOYSA-N
XLogP2.58
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.77
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-difluoro-N-(2-propylsulfonylethyl)aniline
CID 106723062
4-chloro-N-[2-(3-methoxypropylsulfonyl)ethyl]aniline
CID 106513408
4-butyl-N-(2-propylsulfonylethyl)aniline
CID 106723202
4-propan-2-yloxy-N-(2-propylsulfonylethyl)aniline
CID 106723145
2-(4-chloroanilino)ethanesulfonamide
CID 114384668
(1R)-1-(4-chlorophenyl)-N-(2-propylsulfonylethyl)ethanamine
CID 106724080
4-chloro-2-(2-propylsulfonylethylamino)benzonitrile
CID 106723842
6-methoxy-N-(2-propylsulfonylethyl)pyridin-3-amine
CID 106722892
N-(2-ethylsulfonylethyl)-4-methoxyaniline
CID 43807675
2-methyl-5-(2-propylsulfonylethylamino)isoindole-1,3-dione
CID 106722966
2,2-difluoro-N-(2-propylsulfonylethyl)-1,3-benzodioxol-5-amine
CID 106723033
N-(2-ethylsulfonylethyl)-4-phenylaniline
CID 62253497

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-propylsulfonylethyl)aniline?
The IUPAC name of 4-chloro-N-(2-propylsulfonylethyl)aniline (CID 106513312) is 4-chloro-N-(2-propylsulfonylethyl)aniline.
What is the SMILES notation for 4-chloro-N-(2-propylsulfonylethyl)aniline?
The canonical SMILES for 4-chloro-N-(2-propylsulfonylethyl)aniline is CCCS(=O)(=O)CCNc1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(2-propylsulfonylethyl)aniline?
The InChIKey is MIJQFNMKRKOJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2S/c1-2-8-16(14,15)9-7-13-11-5-3-10(12)4-6-11/h3-6,13H,2,7-9H2,1H3.
What are the key properties of 4-chloro-N-(2-propylsulfonylethyl)aniline?
4-chloro-N-(2-propylsulfonylethyl)aniline has a molecular weight of 261.77 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-propylsulfonylethyl)aniline is sourced from PubChem (CID 106513312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).