N-[4-(4-chlorophenyl)-3-phenylbutan-2-yl]-2-methylpropane-2-sulfonamide

C20H26ClNO2S — CID 11394870

IUPACN-[4-(4-chlorophenyl)-3-phenylbutan-2-yl]-2-methylpropane-2-sulfonamide
SMILESCC(NS(=O)(=O)C(C)(C)C)C(Cc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C20H26ClNO2S/c1-15(22-25(23,24)20(2,3)4)19(17-8-6-5-7-9-17)14-16-10-12-18(21)13-11-16/h5-13,15,19,22H,14H2,1-4H3
InChIKeyAKIWBHMZGUSENW-UHFFFAOYSA-N
MW379.95 g/mol
LogP4.77
Rot. Bonds6

About N-[4-(4-chlorophenyl)-3-phenylbutan-2-yl]-2-methylpropane-2-sulfonamide

N-[4-(4-chlorophenyl)-3-phenylbutan-2-yl]-2-methylpropane-2-sulfonamide (PubChem CID 11394870) has the molecular formula C20H26ClNO2S and a molecular weight of 379.95 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-3-phenylbutan-2-yl]-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)-3-phenylbutan-2-yl]-2-methylpropane-2-sulfonamide
PubChem CID11394870
Molecular FormulaC20H26ClNO2S
Molecular Weight379.95 g/mol
Exact Mass379.14
IUPAC NameN-[4-(4-chlorophenyl)-3-phenylbutan-2-yl]-2-methylpropane-2-sulfonamide
SMILESCC(NS(=O)(=O)C(C)(C)C)C(Cc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C20H26ClNO2S/c1-15(22-25(23,24)20(2,3)4)19(17-8-6-5-7-9-17)14-16-10-12-18(21)13-11-16/h5-13,15,19,22H,14H2,1-4H3
InChIKeyAKIWBHMZGUSENW-UHFFFAOYSA-N
XLogP4.77
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.95
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(4-chlorophenyl)-4-phenylbutan-2-yl]-2-(2,3-dimethylphenyl)ethanesulfonamide
CID 140513716
(2S,3S)-4-(4-chlorophenyl)-3-phenylbutan-2-amine;hydrochloride
CID 23404723
N-[(2S,3S)-4-(4-chlorophenyl)-3-phenylbutan-2-yl]-2-(3,5-dichlorophenoxy)-2-methylpropanamide
CID 23404712
N-[4-(4-chlorophenyl)-3-(3-cyanophenyl)butan-2-yl]-2-phenylethanesulfonamide
CID 69331186
N-[(2S)-4-(4-chlorophenyl)-3-phenylbutan-2-yl]-4-(3,5-dichlorophenyl)-3,3-dimethylbut-1-en-2-amine
CID 143797713
N-[(2S,3S)-4-(4-chlorophenyl)-3-phenylbutan-2-yl]-2-(5-chloropyrimidin-2-yl)oxy-2-methylpropanamide
CID 23404721
N-[(3R)-3,4-bis(4-chlorophenyl)butan-2-yl]-4-phenylbenzamide
CID 142818762
N-[4-(4-chlorophenyl)-3-phenylbutan-2-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulene-7-carboxamide
CID 10025786
N-[(2S)-4-(4-chlorophenyl)-3-phenylbutan-2-yl]-2-(4-cyanophenoxy)-2-methylpropanamide
CID 142807524
2-(4-chlorophenoxy)-N-[4-(4-cyanophenyl)-3-phenylbutan-2-yl]-2-methylpropanamide
CID 10216927
N-[(2S,3S)-4-(4-chlorophenyl)-3-phenylbutan-2-yl]-2-(4-cyanophenoxy)-2-methylpropanamide
CID 23404717
azane;1-chloro-4-(2-phenylpropyl)benzene
CID 67712446

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)-3-phenylbutan-2-yl]-2-methylpropane-2-sulfonamide?
The IUPAC name of N-[4-(4-chlorophenyl)-3-phenylbutan-2-yl]-2-methylpropane-2-sulfonamide (CID 11394870) is N-[4-(4-chlorophenyl)-3-phenylbutan-2-yl]-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)-3-phenylbutan-2-yl]-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-[4-(4-chlorophenyl)-3-phenylbutan-2-yl]-2-methylpropane-2-sulfonamide is CC(NS(=O)(=O)C(C)(C)C)C(Cc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of N-[4-(4-chlorophenyl)-3-phenylbutan-2-yl]-2-methylpropane-2-sulfonamide?
The InChIKey is AKIWBHMZGUSENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClNO2S/c1-15(22-25(23,24)20(2,3)4)19(17-8-6-5-7-9-17)14-16-10-12-18(21)13-11-16/h5-13,15,19,22H,14H2,1-4H3.
What are the key properties of N-[4-(4-chlorophenyl)-3-phenylbutan-2-yl]-2-methylpropane-2-sulfonamide?
N-[4-(4-chlorophenyl)-3-phenylbutan-2-yl]-2-methylpropane-2-sulfonamide has a molecular weight of 379.95 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)-3-phenylbutan-2-yl]-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 11394870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).