2-chloro-4-[2-(dipropylamino)phenyl]sulfonylaniline

C18H23ClN2O2S — CID 56990220

IUPAC2-chloro-4-[2-(dipropylamino)phenyl]sulfonylaniline
SMILESCCCN(CCC)c1ccccc1S(=O)(=O)c1ccc(N)c(Cl)c1
InChIInChI=1S/C18H23ClN2O2S/c1-3-11-21(12-4-2)17-7-5-6-8-18(17)24(22,23)14-9-10-16(20)15(19)13-14/h5-10,13H,3-4,11-12,20H2,1-2H3
InChIKeyDWFHQPDBJLRBMR-UHFFFAOYSA-N
MW366.91 g/mol
LogP4.38
Rot. Bonds7

About 2-chloro-4-[2-(dipropylamino)phenyl]sulfonylaniline

2-chloro-4-[2-(dipropylamino)phenyl]sulfonylaniline (PubChem CID 56990220) has the molecular formula C18H23ClN2O2S and a molecular weight of 366.91 g/mol. Its IUPAC name is 2-chloro-4-[2-(dipropylamino)phenyl]sulfonylaniline.

Molecular Properties

Compound Name2-chloro-4-[2-(dipropylamino)phenyl]sulfonylaniline
PubChem CID56990220
Molecular FormulaC18H23ClN2O2S
Molecular Weight366.91 g/mol
Exact Mass366.12
IUPAC Name2-chloro-4-[2-(dipropylamino)phenyl]sulfonylaniline
SMILESCCCN(CCC)c1ccccc1S(=O)(=O)c1ccc(N)c(Cl)c1
InChIInChI=1S/C18H23ClN2O2S/c1-3-11-21(12-4-2)17-7-5-6-8-18(17)24(22,23)14-9-10-16(20)15(19)13-14/h5-10,13H,3-4,11-12,20H2,1-2H3
InChIKeyDWFHQPDBJLRBMR-UHFFFAOYSA-N
XLogP4.38
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.91
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-3-chloro-N-ethyl-N-(2-methylphenyl)benzenesulfonamide
CID 115329455
4-[2-[ethyl(2-phenylethyl)amino]phenyl]sulfonyl-2-(trifluoromethyl)aniline
CID 57113925
4-[2-[ethyl(2-methoxyethyl)amino]phenyl]sulfonyl-2-(trifluoromethyl)aniline
CID 57251949
4-amino-3-(dipropylamino)-N-methylbenzenesulfonamide
CID 82898904
4-N,4-N-dipropylnaphthalene-1,4-diamine
CID 139621295
4-amino-3-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide
CID 115330222
2-chloro-5-methyl-4-N,4-N-dipropylbenzene-1,4-diamine
CID 115554375
2-chloro-4-[3-(dimethylamino)propylsulfonyl]aniline
CID 114526935
2-chloro-4-(2-methylsulfonylethylsulfonyl)aniline
CID 81202138
4-amino-3-chloro-N-pentylbenzenesulfonamide
CID 115329349
4-amino-3-[ethyl(propyl)amino]-N,N-dimethylbenzenesulfonamide
CID 82899326
4-amino-3-chloro-N-heptan-2-ylbenzenesulfonamide
CID 115329836

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[2-(dipropylamino)phenyl]sulfonylaniline?
The IUPAC name of 2-chloro-4-[2-(dipropylamino)phenyl]sulfonylaniline (CID 56990220) is 2-chloro-4-[2-(dipropylamino)phenyl]sulfonylaniline.
What is the SMILES notation for 2-chloro-4-[2-(dipropylamino)phenyl]sulfonylaniline?
The canonical SMILES for 2-chloro-4-[2-(dipropylamino)phenyl]sulfonylaniline is CCCN(CCC)c1ccccc1S(=O)(=O)c1ccc(N)c(Cl)c1.
What is the InChIKey of 2-chloro-4-[2-(dipropylamino)phenyl]sulfonylaniline?
The InChIKey is DWFHQPDBJLRBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O2S/c1-3-11-21(12-4-2)17-7-5-6-8-18(17)24(22,23)14-9-10-16(20)15(19)13-14/h5-10,13H,3-4,11-12,20H2,1-2H3.
What are the key properties of 2-chloro-4-[2-(dipropylamino)phenyl]sulfonylaniline?
2-chloro-4-[2-(dipropylamino)phenyl]sulfonylaniline has a molecular weight of 366.91 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[2-(dipropylamino)phenyl]sulfonylaniline is sourced from PubChem (CID 56990220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).