N-[4-[2-(dipropylamino)ethyl]phenyl]-4-propan-2-ylbenzenesulfonamide

C23H34N2O2S — CID 11676519

IUPACN-[4-[2-(dipropylamino)ethyl]phenyl]-4-propan-2-ylbenzenesulfonamide
SMILESCCCN(CCC)CCc1ccc(NS(=O)(=O)c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C23H34N2O2S/c1-5-16-25(17-6-2)18-15-20-7-11-22(12-8-20)24-28(26,27)23-13-9-21(10-14-23)19(3)4/h7-14,19,24H,5-6,15-18H2,1-4H3
InChIKeyFILPEONSWRKEMB-UHFFFAOYSA-N
MW402.60 g/mol
LogP5.28
Rot. Bonds11

About N-[4-[2-(dipropylamino)ethyl]phenyl]-4-propan-2-ylbenzenesulfonamide

N-[4-[2-(dipropylamino)ethyl]phenyl]-4-propan-2-ylbenzenesulfonamide (PubChem CID 11676519) has the molecular formula C23H34N2O2S and a molecular weight of 402.60 g/mol. Its IUPAC name is N-[4-[2-(dipropylamino)ethyl]phenyl]-4-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-[2-(dipropylamino)ethyl]phenyl]-4-propan-2-ylbenzenesulfonamide
PubChem CID11676519
Molecular FormulaC23H34N2O2S
Molecular Weight402.60 g/mol
Exact Mass402.23
IUPAC NameN-[4-[2-(dipropylamino)ethyl]phenyl]-4-propan-2-ylbenzenesulfonamide
SMILESCCCN(CCC)CCc1ccc(NS(=O)(=O)c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C23H34N2O2S/c1-5-16-25(17-6-2)18-15-20-7-11-22(12-8-20)24-28(26,27)23-13-9-21(10-14-23)19(3)4/h7-14,19,24H,5-6,15-18H2,1-4H3
InChIKeyFILPEONSWRKEMB-UHFFFAOYSA-N
XLogP5.28
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.60
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]ethyl-prop-2-enylcarbamic acid
CID 143211613
4-chloro-N-(4-propylphenyl)benzenesulfonamide
CID 167013208
N-[4-[2-(cyclopropylmethylamino)ethyl]phenyl]-4-propan-2-ylbenzenesulfonamide
CID 67419833
N-(4-ethylphenyl)-4-propylbenzenesulfonamide
CID 22773839
4-butan-2-yl-N-[4-[(4-butan-2-ylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 25042708
N-[4-[2-(cyclopropylmethylamino)ethyl]phenyl]-4-propan-2-ylbenzenesulfonamide;hydrochloride
CID 69242109
4-methyl-N-[4-[(4-propan-2-ylphenyl)methylsulfanyl]phenyl]benzenesulfonamide
CID 141122627
N,N-diethyl-2-(4-propan-2-ylphenyl)ethanamine
CID 138483696
N-[4-(cyanomethyl)phenyl]-4-propylbenzenesulfonamide
CID 25042511
N-[4-(methylsulfamoyl)phenyl]-4-propylbenzenesulfonamide;molecular hydrogen
CID 177246502
4-propan-2-yl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3791590
4-[(4-propan-2-ylphenyl)sulfonylamino]benzoic acid
CID 7574220

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(dipropylamino)ethyl]phenyl]-4-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-[4-[2-(dipropylamino)ethyl]phenyl]-4-propan-2-ylbenzenesulfonamide (CID 11676519) is N-[4-[2-(dipropylamino)ethyl]phenyl]-4-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-[4-[2-(dipropylamino)ethyl]phenyl]-4-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-[4-[2-(dipropylamino)ethyl]phenyl]-4-propan-2-ylbenzenesulfonamide is CCCN(CCC)CCc1ccc(NS(=O)(=O)c2ccc(C(C)C)cc2)cc1.
What is the InChIKey of N-[4-[2-(dipropylamino)ethyl]phenyl]-4-propan-2-ylbenzenesulfonamide?
The InChIKey is FILPEONSWRKEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O2S/c1-5-16-25(17-6-2)18-15-20-7-11-22(12-8-20)24-28(26,27)23-13-9-21(10-14-23)19(3)4/h7-14,19,24H,5-6,15-18H2,1-4H3.
What are the key properties of N-[4-[2-(dipropylamino)ethyl]phenyl]-4-propan-2-ylbenzenesulfonamide?
N-[4-[2-(dipropylamino)ethyl]phenyl]-4-propan-2-ylbenzenesulfonamide has a molecular weight of 402.60 g/mol, XLogP of 5.28, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(dipropylamino)ethyl]phenyl]-4-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 11676519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).